Compound Identification
SMILES
CSC1=NC(\C=C2/SC3=CC(=C(C=C3N2C)S([O-])(=O)=O)[N+]([O-])=O)=CC(C)=[N+]1C1=CC=CC=C1
InChIKey
InChIKey=RPUKGNLYDCJEBR-UHFFFAOYSA-N
Formula
C21H18N4O5S3
Mass
502.58
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
1-sulfo,2-unsubstituted aromatic compounds Nitroaromatic compounds Alkylarylthioethers Benzene and substituted derivatives Pyrimidines and pyrimidine derivatives Thiazoles Sulfonyls Heteroaromatic compounds Organosulfonic acids Ketene acetals Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Organic oxoazanium compounds Azacyclic compounds Hydrocarbon derivatives Amines Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzo-thiazole - 1,2-benzothiazole - 1,3-benzothiazole - Aryl thioether - Nitroaromatic compound - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Thiazole - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Organosulfonic acid - Heteroaromatic compound - C-nitro compound - Ketene acetal or derivatives - Organic nitro compound - Azacycle - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Thioether - Organic nitrogen compound - Organic salt - Organonitrogen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Amine - 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