Compound Identification
SMILES
OC(=O)C(O)=O.N=C1SC2=CC=CC=C2N1CCCCCCCCCCCCN1C(=N)SC2=CC=CC=C12
InChIKey
InChIKey=CBFVAWGNYBOZDE-UHFFFAOYSA-N
Formula
C28H36N4O4S2
Mass
556.74
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
Dicarboxylic acids and derivatives Benzenoids Thiazoles Heteroaromatic compounds Isothioureas Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
1,3-benzothiazole - Dicarboxylic acid or derivatives - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Isothiourea - Carboxylic acid derivative - Carboxylic acid - Azacycle - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen 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