Compound Identification
SMILES
CCCC1=CC2=C(C=C1[N+]([O-])=O)N1C(S2)=NC=C(C(=O)NC2=NNN=N2)C1=O
InChIKey
InChIKey=PIJULMNOMSYUHD-UHFFFAOYSA-N
Formula
C15H12N8O4S
Mass
400.37
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
Pyrimidinecarboxylic acids and derivatives Nitroaromatic compounds Pyrimidones Benzenoids Vinylogous amides Thiazoles Tetrazoles Heteroaromatic compounds Secondary carboxylic acid amides Lactams Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Organic oxides Organooxygen compounds Hydrocarbon derivatives Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Pyrimidine-5-carboxylic acid or derivatives - Nitroaromatic compound - Pyrimidone - Pyrimidine - Benzenoid - Azole - Tetrazole - Thiazole - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Organic nitro compound - Secondary carboxylic acid amide - Lactam - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Organic 1,3-dipolar compound - Organic oxoazanium - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organic nitrogen 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