Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@@H](SCCN)C(=O)N(CCO)C1=CC=C(C=C1)C(=O)N1CCN(CCC2=CC=C(Cl)C=C2)CC1

InChIKey

InChIKey=PHSJFXJTHALCOV-DEOSSOPVSA-N

Formula

C27H35ClN4O5S

Mass

563.11

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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

Not available

Direct Parent

Acylaminobenzoic acid and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Acylaminobenzoic acid or derivatives - Phenethylamine - Benzamide - Anilide - Benzoyl - Halobenzene - Chlorobenzene - Aralkylamine - N-alkylpiperazine - Piperazine - Aryl chloride - 1,4-diazinane - Aryl halide - 1,3-dicarbonyl compound - Tertiary carboxylic acid amide - Methyl ester - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - Carboxamide group - Carboxylic acid ester - Alkanolamine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkylthioether - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Primary amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Alcohol - Primary aliphatic amine - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary alcohol - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.

External Descriptors

Not available

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