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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:57:45 UTC
Update Date2025-03-21 18:05:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00056831
Frequency56.0
Structure
Chemical FormulaC16H23N3O2S
Molecular Mass321.1511
SMILESOCCOCCN1CCN(C2=Nc3ccccc3SC2)CC1
InChI KeyHGEGVWPMGWGVGA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzothiazines
Subclass benzothiazines
Direct Parent benzothiazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,4-thiazines
  • alcohols and polyols
  • alkylarylthioethers
  • amidines
  • azacyclic compounds
  • benzenoids
  • dialkyl ethers
  • hydrocarbon derivatives
  • imidolactams
  • n-alkylpiperazines
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • trialkylamines
    • Substituents
  • ether
  • benzothiazine
  • amidine
  • alkylarylthioether
  • dialkyl ether
  • aryl thioether
  • propargyl-type 1,3-dipolar organic compound
  • piperazine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • imidolactam
  • tertiary amine
  • alcohol
  • para-thiazine
  • azacycle
  • n-alkylpiperazine
  • tertiary aliphatic amine
  • organic 1,3-dipolar compound
  • organic oxygen compound
  • thioether
  • 1,4-diazinane
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound