Compound Identification
SMILES
COC1=CC2=C(C=C1)N=C(NC(=O)C(=O)C1C(=O)N(N=C1C1=CC=CC=C1)C1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O)S2
InChIKey
InChIKey=LDROLJWNPCYBFJ-UHFFFAOYSA-N
Formula
C25H16N6O8S
Mass
560.5
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
Nitrobenzenes Anisoles N-arylamides Nitroaromatic compounds Alkyl aryl ethers 1,3-dicarbonyl compounds Pyrazolones Thiazoles Heteroaromatic compounds Ketones Secondary carboxylic acid amides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - 1,3-benzothiazole - Nitroaromatic compound - Anisole - N-arylamide - Phenol ether - Alkyl aryl ether - Pyrazolinone - 1,3-dicarbonyl compound - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiazole - Pyrazoline - Azole - Secondary carboxylic acid amide - C-nitro compound - Ketone - Carboxamide group - Organic nitro compound - Azacycle - Carboxylic acid derivative - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxygen compound - Organic salt - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic zwitterion - 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