<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">20558</id>
  <title nil="true"/>
  <common-name>Elzasonan</common-name>
  <description nil="true"/>
  <cas>361343-19-3</cas>
  <pubchem-id>6914152</pubchem-id>
  <chemical-formula>C22H23Cl2N3OS</chemical-formula>
  <weight nil="true"/>
  <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">2016-05-22T06:08:04Z</created-at>
  <updated-at type="dateTime">2026-04-03T01:22:46Z</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>[H]\C(=C1\SCCN(C2=CC(Cl)=C(Cl)C=C2)C1=O)C1=CC=CC=C1N1CCN(C)CC1</moldb-smiles>
  <moldb-formula>C22H23Cl2N3OS</moldb-formula>
  <moldb-inchi>InChI=1S/C22H23Cl2N3OS/c1-25-8-10-26(11-9-25)20-5-3-2-4-16(20)14-21-22(28)27(12-13-29-21)17-6-7-18(23)19(24)15-17/h2-7,14-15H,8-13H2,1H3/b21-14-</moldb-inchi>
  <moldb-inchikey>LHYMPSWMHXUWSK-STZFKDTASA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">448.41</moldb-average-mass>
  <moldb-mono-mass type="decimal">447.0938889</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>5290108</chemspider-id>
  <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>CHEM019453</chemdb-id>
  <dsstox-id>DTXSID7047277</dsstox-id>
  <toxcast-id>47277</toxcast-id>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00015623</susdat-id>
  <iupac>(2Z)-4-(3,4-dichlorophenyl)-2-{[2-(4-methylpiperazin-1-yl)phenyl]methylidene}thiomorpholin-3-one</iupac>
</compound>
