[2-methoxy-4-[(e)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate (CED0280793)

Record Information
Version1.0
Creation Date2026-08-30 10:43:35 UTC
Update Date2026-08-30 10:43:35 UTC
Accession NumberCHEM326133
Identification
Common Name[2-methoxy-4-[(e)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
ClassSmall Molecule
Description
[2-methoxy-4-[(e)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate is a chemical compound with the formula C22H18ClN3O3S. It has an average molecular weight of 439.90 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC22H18ClN3O3S
Average Molecular MassNot Available
Monoisotopic Mass439.076 g/mol
CAS Registry Number350844-44-9
IUPAC NameNot Available
Traditional NameNot Available
SMILESCOC1=C(C=CC(=C1)C=NNC(=S)NC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)Cl
InChI IdentifierInChI=1S/C22H18ClN3O3S/c1-28-20-13-15(14-24-26-22(30)25-18-5-3-2-4-6-18)7-12-19(20)29-21(27)16-8-10-17(23)11-9-16/h2-14H,1H3,(H2,25,26,30)/b24-14+
InChI KeyILAPVBQIJTXOPZ-ZVHZXABRSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
2636.0Log mg/kg[1500:4700]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureTransient receptor potential cation channel subfamily M member 1Q2TV84Mus musculusPredicted (SEA)8.95266
Click to view 3D structurerRNA adenine N-6-methyltransferaseP02979Staphylococcus aureusPredicted (SEA)0.155698
Click to view 3D structure23S rRNA methylase leader peptideP10739Escherichia coliPredicted (SEA)0.155698
Click to view 3D structureLuciferin 4-monooxygenaseP08659Photinus pyralisPredicted (SEA)17.6718
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)68.1181
Sentrin-specific protease 7 structureClick to view 3D structureSentrin-specific protease 7Q9BQF6HumansPredicted (SEA)34.7208
Click to view 3D structureTyrosinaseO42713Agaricus bisporusPredicted (SEA)7.39568
Click to view 3D structureHeat shock factor protein 1P38532Mus musculusPredicted (SEA)23.5105
Tyrosine-protein phosphatase non-receptor type 22 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 22Q9Y2R2HumansPredicted (SEA)8.09632
Tyrosine-protein phosphatase non-receptor type 7 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 7P35236HumansPredicted (SEA)25.1453
Induced myeloid leukemia cell differentiation protein Mcl-1 structureClick to view 3D structureInduced myeloid leukemia cell differentiation protein Mcl-1Q07820HumansPredicted (SEA)108.678
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)409.643
Histone deacetylase 8 structureClick to view 3D structureHistone deacetylase 8Q9BY41HumansPredicted (SEA)237.44
Tyrosine-protein kinase SYK structureClick to view 3D structureTyrosine-protein kinase SYKP43405HumansPredicted (SEA)534.124
Click to view 3D structureLarge T antigenP03070Simian virus 40Predicted (SEA)17.2047
Tyrosine-protein phosphatase non-receptor type 12 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 12Q05209HumansPredicted (SEA)6.30579
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)478.15
Matrix metalloproteinase-9 structureClick to view 3D structureMatrix metalloproteinase-9P14780HumansPredicted (SEA)301.666
Krueppel-like factor 5 structureClick to view 3D structureKrueppel-like factor 5Q13887HumansPredicted (SEA)12.6894
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)258.459
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)282.593
Click to view 3D structureMitochondrial import inner membrane translocase subunit TIM10P87108Saccharomyces cerevisiae S288cPredicted (SEA)13.2344
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)358.106
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)1035.63
Click to view 3D structureHistone deacetylase 8A5H660Schistosoma mansoniPredicted (SEA)36.9005
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available