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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:13:10 UTC
Update Date2025-03-21 18:32:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00093642
Frequency29.8
Structure
Chemical FormulaC18H22N2OS
Molecular Mass314.1453
SMILESCOc1ccc(C2Sc3ccccc3N2CCN(C)C)cc1
InChI KeyMKOPEFAQUMQFAX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzothiazoles
Subclass benzothiazoles
Direct Parent benzothiazoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • alkylarylthioethers
  • anisoles
  • azacyclic compounds
  • dialkylarylamines
  • hydrocarbon derivatives
  • methoxybenzenes
  • organopnictogen compounds
  • phenoxy compounds
  • thiazoles
  • trialkylamines
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • alkyl aryl ether
  • alkylarylthioether
  • aryl thioether
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • benzo-thiazole
  • organopnictogen compound
  • dialkylarylamine
  • tertiary amine
  • 1,3-benzothiazole
  • azacycle
  • tertiary aliphatic amine
  • methoxybenzene
  • organic oxygen compound
  • thioether
  • anisole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • thiazole
  • amine
  • organooxygen compound