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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:47:41 UTC
Update Date2025-03-21 18:01:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00032968
Frequency110.4
Structure
Chemical FormulaC12H16N2OS
Molecular Mass236.0983
SMILESCN(C)CCN1C(=O)CSc2ccccc21
InChI KeyWSLOTLZZDQOWGW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzothiazines
Subclass benzothiazines
Direct Parent benzothiazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,4-thiazines
  • alkylarylthioethers
  • amino acids and derivatives
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organopnictogen compounds
  • tertiary carboxylic acid amides
  • trialkylamines
  • Substituents
  • carbonyl group
  • lactam
  • amino acid or derivatives
  • benzothiazine
  • alkylarylthioether
  • carboxylic acid derivative
  • aryl thioether
  • organic oxide
  • aromatic heteropolycyclic compound
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • tertiary amine
  • para-thiazine
  • azacycle
  • tertiary aliphatic amine
  • carboxamide group
  • organic oxygen compound
  • thioether
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound