Compound Identification
SMILES
CN(C)CCCN(C(=O)C=CC1=CC=C(S1)[N+]([O-])=O)C1=NC2=C(S1)C=C(Cl)C=C2
InChIKey
InChIKey=BTVCHIMFTDEPEG-UHFFFAOYSA-N
Formula
C19H19ClN4O3S2
Mass
450.96
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
2-nitrothiophenes Nitroaromatic compounds 2,5-disubstituted thiophenes Aryl chlorides Benzenoids Thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic oxides Organic salts Organochlorides Carbonyl compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-nitrothiophene - Nitrothiophene - 1,3-benzothiazole - Nitroaromatic compound - 2,5-disubstituted thiophene - Aryl chloride - Aryl halide - Benzenoid - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazole - Thiophene - Amino acid or derivatives - Carboxamide group - C-nitro compound - Tertiary amine - Organic nitro compound - Tertiary aliphatic amine - Allyl-type 1,3-dipolar organic compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic oxoazanium - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organohalogen compound - Organonitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic salt - Organic oxide - Organooxygen 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