Compound Identification
SMILES
[O-][N+](=O)C1=CC2=C(C=C1)N(CNC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(NCN3C(=S)SC4=C3C=CC(=C4)[N+]([O-])=O)C=C1)C(=S)S2
InChIKey
InChIKey=GKSLNPJOMPMPOU-UHFFFAOYSA-N
Formula
C28H20N6O6S5
Mass
696.8
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
Benzenesulfonyl compounds Phenylalkylamines Nitroaromatic compounds Thiazoles Sulfones Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Benzenesulfonyl group - Nitroaromatic compound - Phenylalkylamine - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Sulfone - Sulfonyl - Thiazole - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Organic salt - Organic oxygen compound - Organic zwitterion - Organic oxide - Hydrocarbon derivative - 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