Compound Identification
SMILES
CC1=C(C)C=C(C=C1)C1=CSC(NC(=O)CNC(=O)C2=CC(F)=CC=C2)=N1
InChIKey
InChIKey=YGNCXMWUQXICFR-UHFFFAOYSA-N
Formula
C20H18FN3O2S
Mass
383.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Benzamides
- Level 6 Hippuric acids and derivatives
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Level 5
Benzamides
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Benzamides
Direct Parent
Hippuric acids and derivatives
Alternative Parents
N-acyl-alpha amino acids and derivatives Alpha amino acid amides 3-halobenzoic acids and derivatives o-Xylenes N-arylamides Benzoyl derivatives 2,4-disubstituted thiazoles Fluorobenzenes Aryl fluorides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Alpha-amino acid or derivatives - N-arylamide - Benzoyl - Xylene - O-xylene - Halobenzene - 2,4-disubstituted 1,3-thiazole - Fluorobenzene - Aryl fluoride - Aryl halide - Thiazole - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organofluoride - Organic oxide - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.
External Descriptors
Not available