Structure Information
Structure

Compound Identification

SMILES

CCN1C(CCNC(=O)C2=CC(Cl)=C(Cl)C=C2)=NN=C1SCC(=O)NC1=CC=CC=C1OC

InChIKey

InChIKey=NCAYXNVVGQFWAA-UHFFFAOYSA-N

Formula

C22H23Cl2N5O3S

Mass

508.42

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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

4-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzamide - Anilide - Methoxyaniline - Anisole - Benzoyl - 1,2-dichlorobenzene - Phenol ether - Phenoxy compound - Aryl thioether - N-arylamide - Methoxybenzene - Alkyl aryl ether - Alkylarylthioether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - 1,2,4-triazole - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Thioether - Sulfenyl compound - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organohalogen compound - Organochloride - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.

External Descriptors

Not available

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