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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:49 UTC
Update Date2025-03-25 01:02:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02253505
Frequency0.5
Structure
Chemical FormulaC19H14N2S
Molecular Mass302.0878
SMILESNc1ccccc1C1=Nc2ccccc2Sc2ccccc21
InChI KeyYHILHACURYGUFX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzothiazepines
Subclass dibenzothiazepines
Direct Parent dibenzothiazepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzene and substituted derivatives
  • diarylthioethers
  • hydrocarbon derivatives
  • ketimines
  • organopnictogen compounds
  • primary amines
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • ketimine
  • monocyclic benzene moiety
  • azacycle
  • imine
  • organic 1,3-dipolar compound
  • aryl thioether
  • propargyl-type 1,3-dipolar organic compound
  • dibenzothiazepine
  • aromatic heteropolycyclic compound
  • thioether
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • amine
  • diarylthioether