Compound Identification
SMILES
C[C@H](N1C[C@@H](CC1=O)C(=O)NC1=NC2=C(S1)C=C(Cl)C=C2)C1=CC=CC=C1
InChIKey
InChIKey=NEJFEMABNHRALW-GXTWGEPZSA-N
Formula
C20H18ClN3O2S
Mass
399.89
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiazoles
Alternative Parents
N-arylamides Pyrrolidinecarboxamides Pyrrolidine-2-ones Aryl chlorides N-alkylpyrrolidines Benzene and substituted derivatives Heteroaromatic compounds Tertiary carboxylic acid amides Thiazoles Secondary carboxylic acid amides Lactams Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-3-carboxamide - N-arylamide - Monocyclic benzene moiety - Aryl chloride - Pyrrolidone - 2-pyrrolidone - Aryl halide - N-alkylpyrrolidine - Benzenoid - Tertiary carboxylic acid amide - Thiazole - Azole - Pyrrolidine - Heteroaromatic compound - Secondary carboxylic acid amide - Lactam - Carboxamide group - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
External Descriptors
Not available