<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-05 11:55:21 UTC</creation_date>
  <update_date>2026-05-14 18:51:35 UTC</update_date>
  <accession/>
  <common_name>1-(3-Chloro-4-methylphenyl)-3-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)thio]ethyl}urea</common_name>
  <class>SmallMolecule</class>
  <description>1-(3-Chloro-4-methylphenyl)-3-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)thio]ethyl}urea is an organic compound with the formula C18H24ClN3O2S and an average molecular weight of 381.92 g/mol. 1-(3-Chloro-4-methylphenyl)-3-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)thio]ethyl}urea belongs to the n-phenylureas, a subclass of benzene and substituted derivatives within the organic compounds. Within the superclass of benzenoids, this compound is recorded to target the Gag-Pol polyprotein (gag-pol).</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C18H24ClN3O2S</chemical_formula>
  <average_molecular_weight>381.92</average_molecular_weight>
  <monisotopic_moleculate_weight>381.1277757</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>564475-13-4</cas_registry_number>
  <smiles>CN(C)CC1=CC=C(CSCCNC(=O)NC2=CC=C(C)C(Cl)=C2)O1</smiles>
  <inchi>InChI=1S/C18H24ClN3O2S/c1-13-4-5-14(10-17(13)19)21-18(23)20-8-9-25-12-16-7-6-15(24-16)11-22(2)3/h4-7,10H,8-9,11-12H2,1-3H3,(H2,20,21,23)</inchi>
  <inchikey>WEYNBWVKOYCCQT-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
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    <direct_parent/>
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    <molecular_framework/>
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  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
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  <state/>
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  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>3.4</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>381.92</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>381.1277757</value>
      <source>ChemAxon</source>
    </property>
    <property>
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      <value>CN(C)CC1=CC=C(CSCCNC(=O)NC2=CC=C(C)C(Cl)=C2)O1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C18H24ClN3O2S</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C18H24ClN3O2S/c1-13-4-5-14(10-17(13)19)21-18(23)20-8-9-25-12-16-7-6-15(24-16)11-22(2)3/h4-7,10H,8-9,11-12H2,1-3H3,(H2,20,21,23)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>WEYNBWVKOYCCQT-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
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  <symptoms/>
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  <drugbank_id>DB08027</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>5082818</pubchem_compound_id>
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