Compound Identification
SMILES
[H]OC(=O)CCCN1C=C(CN2\C(SC3=C2C=CC=C3)=C\C2=C([O-])\C(=C/C3=[N+](CC4=CN(CCCC(=O)O[H])N=N4)C4=C(S3)C=CC=C4)\C2=C(C#N)C#N)N=N1
InChIKey
InChIKey=OFCJYMZPYFVHIG-UHFFFAOYSA-N
Formula
C37H30N10O5S2
Mass
758.83
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
Aryl thioethers Dicarboxylic acids and derivatives Benzenoids Triazoles Thiazoles Heteroaromatic compounds Ketene acetals Nitriles Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - 1,2-benzothiazole - Benzo-thiazole - Aryl thioether - Benzenoid - Dicarboxylic acid or derivatives - Heteroaromatic compound - 1,2,3-triazole - Thiazole - Azole - Ketene acetal or derivatives - Azacycle - Nitrile - Carbonitrile - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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