Compound Identification
SMILES
COC(=O)C1=CC=C(NC(=O)CC2SC(=NC3=CC=C(C=C3)C(F)(F)F)N(CC3=CC=CC=C3)C2=O)C=C1
InChIKey
InChIKey=LGQCVYMYQJCYBS-UHFFFAOYSA-N
Formula
C27H22F3N3O4S
Mass
541.55
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
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
Trifluoromethylbenzenes Benzoic acid esters Anilides Benzoyl derivatives N-arylamides Thiazolidines Methyl esters Isothioureas Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Alkyl fluorides Hydrocarbon derivatives Carbonyl compounds Organofluorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - Benzoate ester - Trifluoromethylbenzene - Anilide - Benzoyl - N-arylamide - Thiazolidine - Methyl ester - Carboxamide group - Carboxylic acid ester - Isothiourea - Secondary carboxylic acid amide - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Alkyl halide - Organonitrogen compound - Alkyl fluoride - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Organic oxide - 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