Compound Identification
SMILES
C[C@@H]1CCN(C(=O)CCC2=NC(=NO2)C2=CSC=C2)C2=CC=CC=C2S1
InChIKey
InChIKey=KWZQKKGGVDAMOS-CYBMUJFWSA-N
Formula
C19H19N3O2S2
Mass
385.5
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 Benzenoids Thiophenes Tertiary carboxylic acid amides Heteroaromatic compounds 1,2,4-oxadiazoles Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - Aryl thioether - Alkylarylthioether - Benzenoid - 1,2,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - Tertiary carboxylic acid amide - Thiophene - Carboxamide group - Carboxylic acid derivative - Oxacycle - Azacycle - Thioether - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organic oxide - 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