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<compound>
  <version>1.0</version>
  <creation_date>2026-08-30 10:43:35 UTC</creation_date>
  <update_date>2026-08-30 10:43:35 UTC</update_date>
  <accession/>
  <common_name>[2-methoxy-4-[(e)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate</common_name>
  <class>SmallMolecule</class>
  <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.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C22H18ClN3O3S</chemical_formula>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight>439.0757403</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>350844-44-9</cas_registry_number>
  <smiles>COC1=C(C=CC(=C1)C=NNC(=S)NC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)Cl</smiles>
  <inchi>InChI=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>
  <inchikey>ILAPVBQIJTXOPZ-ZVHZXABRSA-N</inchikey>
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  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
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  <experimental_properties>
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      <kind>logp</kind>
      <value>5.2</value>
    </property>
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    <property>
      <kind>mono_mass</kind>
      <value>439.0757403</value>
      <source>ChemAxon</source>
    </property>
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      <kind>smiles</kind>
      <value>COC1=C(C=CC(=C1)C=NNC(=S)NC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)Cl</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C22H18ClN3O3S</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=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+</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>ILAPVBQIJTXOPZ-ZVHZXABRSA-N</value>
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    </property>
  </predicted_properties>
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  <pubchem_compound_id>40825761</pubchem_compound_id>
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