Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzothiazoles

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzothiazoles

Alternative Parents

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

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