Compound Identification
SMILES
ClC1=CC2=C(C=C1)N=C(NC(=O)C1=CC=CC(=N1)C(=O)NC1=NC3=C(S1)C=C(Cl)C=C3)S2
InChIKey
InChIKey=IJHVHQCAGGQLLR-UHFFFAOYSA-N
Formula
C21H11Cl2N5O2S2
Mass
500.37
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
Pyridinecarboxylic acids and derivatives 2-heteroaryl carboxamides Benzenoids Aryl chlorides Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Aryl chloride - Aryl halide - Benzenoid - Pyridine - Azole - Heteroaromatic compound - Thiazole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen 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