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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:44 UTC
Update Date2025-03-25 00:50:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02182462
Frequency0.5
Structure
Chemical FormulaC14H10N2OS
Molecular Mass254.0514
SMILESO=CNC1=Nc2ccccc2Sc2ccccc21
InChI KeyHTTHRJVHKVXZPG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzothiazepines
Subclass dibenzothiazepines
Direct Parent dibenzothiazepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids and derivatives
  • diarylthioethers
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • carbonyl group
  • azacycle
  • organic 1,3-dipolar compound
  • carboxylic acid derivative
  • aryl thioether
  • propargyl-type 1,3-dipolar organic compound
  • dibenzothiazepine
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • thioether
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • diarylthioether