Compound Identification
SMILES
[Na+].[O-]S(=O)(=O)CCCN1\C(SC2=CC=CC=C12)=C\C=C/C=C/C=C\C1=[N+](CCCS([O-])(=O)=O)C2=CC=CC=C2S1
InChIKey
InChIKey=JPTMWUZAGWHLLB-UHFFFAOYSA-M
Formula
C27H27N2NaO6S4
Mass
626.75
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 Benzenoids Thiazoles Sulfonyls Organosulfonic acids Heteroaromatic compounds Alkanesulfonic acids Ketene acetals Azacyclic compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Amines Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-thiazole - 1,2-benzothiazole - 1,3-benzothiazole - Aryl thioether - Benzenoid - Azole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Thiazole - Alkanesulfonic acid - Ketene acetal or derivatives - Organic alkali metal salt - Azacycle - Organic salt - Organic sodium salt - Organosulfur compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic cation - 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