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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:01 UTC
Update Date2025-03-25 00:50:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183089
Frequency0.5
Structure
Chemical FormulaC13H12N2O2S
Molecular Mass260.0619
SMILESO=S1(=O)NCc2cccc(Nc3ccccc3)c21
InChI KeyJUNJKZNMOUSBHT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzothiazoles
Subclass benzothiazoles
Direct Parent benzothiazoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • organosulfonamides
  • secondary amines
    • Substituents
  • organosulfonic acid or derivatives
  • monocyclic benzene moiety
  • azacycle
  • secondary amine
  • 1,2-benzothiazole
  • organosulfonic acid amide
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organic sulfonic acid or derivatives
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine