Compound Identification
SMILES
CC1=CC2=C(C=C1Cl)N=C(NC(=S)NC(=O)C1=CC=C(C=C1)C(C)(C)C)S2
InChIKey
InChIKey=LSTIEPNEGSIFQB-UHFFFAOYSA-N
Formula
C20H20ClN3OS2
Mass
417.97
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
Phenylpropanes Benzoic acids and derivatives Benzoyl derivatives Aryl chlorides Thiazoles Heteroaromatic compounds Thioureas Carboxylic acids and derivatives Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoic acid or derivatives - Phenylpropane - 1,3-benzothiazole - Benzoyl - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Thiourea - Azacycle - Carboxylic acid derivative - Organohalogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organonitrogen 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