Structure Information
Structure

Compound Identification

SMILES

CCCC1=C(O)N(C(=O)C2=CC=CC=C2Cl)C(SCC[NH+](CC)CC)=NC1=O

InChIKey

InChIKey=RRMNSRMWIBWAON-UHFFFAOYSA-O

Formula

C20H27ClN3O3S

Mass

424.96

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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

2-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

2-halobenzoic acid or derivatives - Aryl thioether - Benzoyl - Pyrimidone - Alkylarylthioether - Halobenzene - Chlorobenzene - Hydroxypyrimidine - Hydropyrimidine - Pyrimidine - Aryl chloride - Aryl halide - Vinylogous amide - Vinylogous acid - Vinylogous halide - Quaternary ammonium salt - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.

External Descriptors

Not available

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