<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">296034</id>
  <title nil="true"/>
  <common-name>[[4-chloro-2-(2-methoxyanilino)benzoyl]amino]thiourea</common-name>
  <description>[[4-chloro-2-(2-methoxyanilino)benzoyl]amino]thiourea belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C15H15ClN4O2S and an average molecular weight of 350.80 g/mol.</description>
  <cas>195370-36-6</cas>
  <pubchem-id>3075673</pubchem-id>
  <chemical-formula>C15H15ClN4O2S</chemical-formula>
  <weight>350.8</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-08-28T12:05:12Z</created-at>
  <updated-at type="dateTime">2026-08-28T12:05:12Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>COC1=CC=CC=C1NC2=C(C=CC(=C2)Cl)C(=O)NNC(=S)N</moldb-smiles>
  <moldb-formula>C15H15ClN4O2S</moldb-formula>
  <moldb-inchi>InChI=1S/C15H15ClN4O2S/c1-22-13-5-3-2-4-11(13)18-12-8-9(16)6-7-10(12)14(21)19-20-15(17)23/h2-8,18H,1H3,(H,19,21)(H3,17,20,23)</moldb-inchi>
  <moldb-inchikey>FEQAJVUFYNTOMB-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">350.0604246</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.4</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM291927</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>[[4-chloro-2-(2-methoxyanilino)benzoyl]amino]thiourea</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Benzoic acids and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0247451</sync-id>
  <structure-inchikey>FEQAJVUFYNTOMB-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>5000000050020000000800000400000000000080000000400000000000000000000000000000000000080000000000000000001002100800000000000000400000000000000000000020000000000100000000000040000000000000010080000040000000100000000000000006000200000000000000000000000040000000800000200000000080001000000100000080000000000000000000000000000000000000080000002000000001000000000000000000000080000000000000000000000000000000000010008000000000000200000000000000000000000000000040000000000400000000000020000100000000020000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������(������@(������@h�������@h�������@h�������@h�������@(�������h�������@(������@(������@h�������@h�������@(������@h�������� ������(�������(�������h��������h��������(�������(�������h������������ ��h���h���h���h���h��� �	 	
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  <structure-indexed-at type="dateTime">2026-09-19T05:07:22Z</structure-indexed-at>
</compound>
