Compound Identification
SMILES
CC(=O)C1=C(C)N=C(NC(=O)C2=CC=C(S2)C2=NC3=CC=CC=C3S2)S1
InChIKey
InChIKey=XGNWWJRPUJFUFM-UHFFFAOYSA-N
Formula
C18H13N3O2S3
Mass
399.5
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
Thiophene carboxamides Aryl alkyl ketones 2-heteroaryl carboxamides 2,4,5-trisubstituted thiazoles 2,5-disubstituted thiophenes Benzenoids Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - 2-heteroaryl carboxamide - 2,4,5-trisubstituted 1,3-thiazole - Thiophene carboxamide - Aryl alkyl ketone - Aryl ketone - Thiophene carboxylic acid or derivatives - 2,5-disubstituted thiophene - Benzenoid - Azole - Thiazole - Heteroaromatic compound - Thiophene - Carboxamide group - Ketone - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - 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