Compound Identification
SMILES
[Na+].CC1=C(C2=C(C=C1)N=C(S2)C1=CC2=C(C=C1)N=C(S2)C1=CC=C(NN=C2C=CC(=O)C(=NNC3=CC=CC=C3)C2=O)C=C1)S([O-])(=O)=O
InChIKey
InChIKey=JFHODISXANJWDB-UHFFFAOYSA-M
Formula
C33H21N6NaO5S3
Mass
700.74
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
Arylsulfonic acids and derivatives Phenylhydrazines M-benzoquinones Thiazoles Sulfonyls Organosulfonic acids Heteroaromatic compounds Hydrazones Azacyclic compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Arylsulfonic acid or derivatives - 1,3-benzothiazole - Quinone - Phenylhydrazine - M-benzoquinone - Monocyclic benzene moiety - Benzenoid - Azole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Heteroaromatic compound - Thiazole - Sulfonyl - Cyclic ketone - Azacycle - Organic alkali metal salt - Hydrazone - Organic nitrogen compound - Organic zwitterion - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - 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