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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:39 UTC
Update Date2025-03-25 01:01:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02248599
Frequency0.5
Structure
Chemical FormulaC16H18N4O2S
Molecular Mass330.115
SMILESNC(=NS(=O)(=O)c1ccc(N)cc1)N1CCc2ccccc2C1
InChI KeyDJHZXOVRMIQIKJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrahydroisoquinolines
Subclass tetrahydroisoquinolines
Direct Parent tetrahydroisoquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenesulfonamides
  • benzenesulfonyl compounds
  • guanidines
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • organosulfonic acids and derivatives
  • primary amines
  • sulfonyls
    • Substituents
  • organosulfonic acid or derivatives
  • monocyclic benzene moiety
  • benzenesulfonamide
  • azacycle
  • guanidine
  • organosulfur compound
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organic sulfonic acid or derivatives
  • organonitrogen compound
  • tetrahydroisoquinoline
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • amine
  • benzenesulfonyl group