Compound Identification
SMILES
CC1CC2=NC=C(C)N2C2=C(S1)C=C(Cl)C=C2
InChIKey
InChIKey=XOQVPRRUIIDBTE-UHFFFAOYSA-N
Formula
C13H13ClN2S
Mass
264.77
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
Alkylarylthioethers N-substituted imidazoles Benzenoids Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - Aryl thioether - Alkylarylthioether - Aryl chloride - Aryl halide - Benzenoid - N-substituted imidazole - Heteroaromatic compound - Azole - Imidazole - Azacycle - Thioether - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Organohalogen 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