Compound Identification
SMILES
OC(=O)\C=C\C(O)=O.C(N(C1CCNCC1)C1=NC2=CC=CC=C2S1)C1=CC=CC=C1
InChIKey
InChIKey=CXJIEXVYKJEHEB-WLHGVMLRSA-N
Formula
C23H25N3O4S
Mass
439.53
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
Dialkylarylamines Benzylamines Unsaturated fatty acids Piperidines Dicarboxylic acids and derivatives 2-amino-1,3-thiazoles Heteroaromatic compounds Dialkylamines Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
1,3-benzothiazole - Benzylamine - Dialkylarylamine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - 1,3-thiazol-2-amine - Fatty acyl - Fatty acid - Benzenoid - Unsaturated fatty acid - Piperidine - Azole - Heteroaromatic compound - Thiazole - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Azacycle - Secondary amine - Amine - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - 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