Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC=C(NC(=O)CC2N(NC(=O)C3=CC(F)=CC=C3)C(=S)N(C)C2=O)C=C1

InChIKey

InChIKey=YEXQJOQUIQXHDB-UHFFFAOYSA-N

Formula

C21H19FN4O5S

Mass

458.46

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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 - Alpha-amino acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoate ester - Anilide - N-arylamide - Benzoyl - Fluorobenzene - Halobenzene - Imidazolidinone - Aryl halide - Aryl fluoride - Methyl ester - Thiosemicarbazide - Imidazolidine - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxylic acid hydrazide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organofluoride - Organohalogen 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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