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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:55 UTC
Update Date2025-03-25 00:46:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155637
Frequency0.5
Structure
Chemical FormulaC13H14N2OS
Molecular Mass246.0827
SMILESCc1cccc(C)c1NC(=O)c1scnc1C
InChI KeyIYJSDKOZPFVERU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass anilides
Direct Parent aromatic anilides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,3-thiazole carboxanilides
  • 2-heteroaryl carboxamides
  • 4,5-disubstituted thiazoles
  • azacyclic compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • m-xylenes
    • Substituents
  • aromatic heteromonocyclic compound
  • carboxylic acid derivative
  • thiazolecarboxylic acid or derivatives
  • 2-heteroaryl carboxamide
  • xylene
  • aromatic anilide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • azole
  • azacycle
  • heteroaromatic compound
  • m-xylene
  • carboxamide group
  • 4,5-disubstituted 1,3-thiazole
  • secondary carboxylic acid amide
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • thiazolecarboxamide
  • thiazole
  • 1,3-thiazole carboxanilide
  • organooxygen compound