<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">217267</id>
  <title nil="true"/>
  <common-name>N-[(e)-c-[4-(dimethylamino)phenyl]-n-(2-methylanilino)carbonimidoyl]imino-5-hydroxy-4-[(z)-indol-3-ylidenemethyl]-2-methylimidazole-1-carbothioamide</common-name>
  <description>N-[(e)-c-[4-(dimethylamino)phenyl]-n-(2-methylanilino)carbonimidoyl]imino-5-hydroxy-4-[(z)-indol-3-ylidenemethyl]-2-methylimidazole-1-carbothioamide is a chemical compound with the formula C30H28N8OS. With an average molecular weight of 548.70 g/mol, N-[(e)-c-[4-(dimethylamino)phenyl]-n-(2-methylanilino)carbonimidoyl]imino-5-hydroxy-4-[(z)-indol-3-ylidenemethyl]-2-methylimidazole-1-carbothioamide is a heavy molecule.</description>
  <cas>109901-88-4</cas>
  <pubchem-id>135599725</pubchem-id>
  <chemical-formula>C30H28N8OS</chemical-formula>
  <weight>548.7</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">2026-08-22T10:09:44Z</created-at>
  <updated-at type="dateTime">2026-08-22T10:09:44Z</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 nil="true"/>
  <moldb-formula>C30H28N8OS</moldb-formula>
  <moldb-inchi>InChI=1S/C30H28N8OS/c1-19-9-5-7-11-25(19)33-34-28(21-13-15-23(16-14-21)37(3)4)35-36-30(40)38-20(2)32-27(29(38)39)17-22-18-31-26-12-8-6-10-24(22)26/h5-18,33,39H,1-4H3/b22-17+,34-28+,36-35?</moldb-inchi>
  <moldb-inchikey>SRTVPTDBCBDYBE-UYQMFETDSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">548.7</moldb-average-mass>
  <moldb-mono-mass type="decimal">548.2106787</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.9</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>CHEM213160</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>N-[(E)-C-[4-(dimethylamino)phenyl]-N-(2-methylanilino)carbonimidoyl]imino-5-hydroxy-4-[(Z)-indol-3-ylidenemethyl]-2-methylimidazole-1-carbothioamide</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 nil="true"/>
  <superklass nil="true"/>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0156218</sync-id>
  <structure-inchikey nil="true"/>
  <structure-fingerprint nil="true"/>
  <structure-pattern-fingerprint nil="true"/>
  <structure-pickle nil="true"/>
  <structure-indexed-at nil="true"/>
</compound>
