Compound Identification
SMILES
CC(SC1=NN=C(N1CC=C)C1=CC=C(F)C=C1)C(=O)NC1=CC=C(C=C1)C(N)=O
InChIKey
InChIKey=BAXBGCDZNFPBKM-UHFFFAOYSA-N
Formula
C21H20FN5O2S
Mass
425.48
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
Phenyl-1,2,4-triazoles Anilides Benzamides Benzoyl derivatives N-arylamides Alkylarylthioethers Fluorobenzenes Aryl fluorides Heteroaromatic compounds Primary carboxylic acid amides Secondary carboxylic acid amides Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - Phenyltriazole - Phenyl-1,2,4-triazole - Benzamide - Anilide - Aryl thioether - Benzoyl - N-arylamide - Fluorobenzene - Halobenzene - Alkylarylthioether - Aryl halide - Aryl fluoride - Heteroaromatic compound - 1,2,4-triazole - Triazole - Azole - Secondary carboxylic acid amide - Primary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur 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