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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:56:42 UTC
Update Date2025-03-25 00:52:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02193679
Frequency0.5
Structure
Chemical FormulaC18H20Cl2N2S
Molecular Mass366.0724
SMILESCN(C)CCN1CC(c2ccc(Cl)c(Cl)c2)Sc2ccccc21
InChI KeyIISMAKMJIFTGBK-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
  • aryl chlorides
  • azacyclic compounds
  • dialkylarylamines
  • dichlorobenzenes
  • hydrocarbon derivatives
  • organochlorides
  • organopnictogen compounds
  • trialkylamines
  • Substituents
  • monocyclic benzene moiety
  • organochloride
  • benzothiazine
  • alkylarylthioether
  • organohalogen compound
  • aryl thioether
  • aromatic heteropolycyclic compound
  • tertiary aliphatic/aromatic amine
  • organonitrogen compound
  • organopnictogen compound
  • 1,2-dichlorobenzene
  • dialkylarylamine
  • tertiary amine
  • aryl chloride
  • chlorobenzene
  • para-thiazine
  • azacycle
  • tertiary aliphatic amine
  • aryl halide
  • thioether
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • halobenzene
  • amine