Compound Identification
SMILES
ClC1=CC=C(OCC(=O)N(CN2CCCC2=O)C2=NC3=CC=CC=C3S2)C=C1
InChIKey
InChIKey=MCOWPAKYIAOXIP-UHFFFAOYSA-N
Formula
C20H18ClN3O3S
Mass
415.89
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
Phenol ethers Phenoxy compounds Alkyl aryl ethers Chlorobenzenes N-alkylpyrrolidines Aryl chlorides Pyrrolidine-2-ones Thiazoles Heteroaromatic compounds Tertiary carboxylic acid amides Lactams Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - 2-pyrrolidone - Pyrrolidone - Pyrrolidine - Tertiary carboxylic acid amide - Thiazole - Heteroaromatic compound - Azole - Carboxamide group - Lactam - Ether - Carboxylic acid derivative - Azacycle - Organochloride - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - 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