<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">337792</id>
  <title nil="true"/>
  <common-name>(5e)-1-(3,5-dichlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione</common-name>
  <description>(5e)-1-(3,5-dichlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione is a chemical compound with the formula C24H16Cl2N2O4S. It has an average molecular weight of 499.40 g/mol.</description>
  <cas>89516-60-9</cas>
  <pubchem-id>13158550</pubchem-id>
  <chemical-formula>C24H16Cl2N2O4S</chemical-formula>
  <weight>499.4</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">2026-08-30T20:45:24Z</created-at>
  <updated-at type="dateTime">2026-08-30T20:45:24Z</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=C(C=CC(=C1)C=C2C(=O)N(C(=S)N(C2=O)C3=CC(=CC(=C3)Cl)Cl)C4=CC=CC=C4)O</moldb-smiles>
  <moldb-formula>C24H16Cl2N2O4S</moldb-formula>
  <moldb-inchi>InChI=1S/C24H16Cl2N2O4S/c1-32-21-10-14(7-8-20(21)29)9-19-22(30)27(17-5-3-2-4-6-17)24(33)28(23(19)31)18-12-15(25)11-16(26)13-18/h2-13,29H,1H3/b19-9+</moldb-inchi>
  <moldb-inchikey>KRFSQNSTLJVKED-DJKKODMXSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">498.0207836</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.9</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>CHEM333685</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>(5e)-1-(3,5-dichlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione</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>N-phenylthioureas</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0288221</sync-id>
  <structure-inchikey>KRFSQNSTLJVKED-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400000000000000000400000000000000000000000000000800000004000000040000000200000000000000000040000000000000000000000000000000000000000004000000000000200040000200000000003000000000000000000000000000100000008400200001100000000000001000000000000000000001000000040400000008000000080000000000080800001000000101000000000000000000000000000000000000a0000000000000000000000100000000000000080000000000004002100000000000000000012000000040000001200000000000000000048000000000040000000000000000000000020000000000000004000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAhAAAAJAAAAIABBgBgAAAAAQMIACgAAAAD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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:38:46Z</structure-indexed-at>
</compound>
