Compound Identification
SMILES
FC(F)(F)C1=CC2=C(SC3=NC(Cl)=NC=C3C(=O)N2)C=C1
InChIKey
InChIKey=JTURLWVYGOCZPN-UHFFFAOYSA-N
Formula
C12H5ClF3N3OS
Mass
331.7
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiazepines
Alternative Parents
Diarylthioethers 2-halopyrimidines Vinylogous thioesters Aryl chlorides Benzenoids Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Hydrocarbon derivatives Organochlorides Organofluorides Organonitrogen compounds Organooxygen compounds Alkyl fluorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - Diarylthioether - Aryl thioether - 2-halopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Vinylogous thioester - Benzenoid - Pyrimidine - Heteroaromatic compound - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Thioether - Organochloride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiazepines. These are organic compounds containing a benzene fused to a thiazepine ring (a seven-membered ring with a nitrogen atom and a sulfur atom replacing two carbon atoms).
External Descriptors
Not available