Structure Information
Structure

Compound Identification

SMILES

COCCNC(=O)C1=C(C=CC(NC(=O)CSC2=CC=CC=C2)=C1)N1CCN(CC1)C1=CC=CC=C1OC

InChIKey

InChIKey=SELNTWIFCGVKJN-UHFFFAOYSA-N

Formula

C29H34N4O4S

Mass

534.68

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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 - Phenylpiperazine - N-arylpiperazine - Anthranilamide - Aminobenzamide - Aminobenzoic acid or derivatives - 2-aminobenzamide - Aminophenyl ether - Benzamide - Anilide - Methoxyaniline - Phenol ether - Tertiary aliphatic/aromatic amine - Thiophenol ether - Benzoyl - N-arylamide - Phenoxy compound - Aryl thioether - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - Anisole - Alkylarylthioether - Alkyl aryl ether - 1,4-diazinane - Piperazine - Vinylogous amide - Tertiary amine - Carboxamide group - Amino acid or derivatives - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Carboxylic acid derivative - Dialkyl ether - Ether - Carbonyl group - Organic oxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Organooxygen compound - 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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