Structure Information
Structure

Compound Identification

SMILES

CC1CN(CCS1)C(=O)C1=C(Cl)C=C(C=C1)C(=O)NCC1=NC2=C(N1)C=C(Cl)C=C2

InChIKey

InChIKey=PWXPGUZDJZYFPT-UHFFFAOYSA-N

Formula

C21H20Cl2N4O2S

Mass

463.38

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Halobenzoic acids and derivatives

Direct Parent

3-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzamide - Benzimidazole - Benzoyl - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - 1,4-thiazinane - Imidazole - Azole - Vinylogous halide - Heteroaromatic compound - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Dialkylthioether - Carboxylic acid derivative - Thioether - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.

External Descriptors

Not available

Previous Back Next