Compound Identification
SMILES
COC(=O)C(NC(=O)C1=CC=CC=C1)=CNC1=CN=C(SC2=CC=C(Cl)C=C2)C=C1
InChIKey
InChIKey=NXPGDYHHZIZXCS-UHFFFAOYSA-N
Formula
C22H18ClN3O3S
Mass
439.91
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
-
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 Diarylthioethers Thiophenol ethers Benzoyl derivatives Aminopyridines and derivatives Chlorobenzenes Aryl chlorides Vinylogous amides Methyl esters Heteroaromatic compounds Enoate esters Secondary carboxylic acid amides Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Enamines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Diarylthioether - Alpha-amino acid or derivatives - Aryl thioether - Thiophenol ether - Benzoyl - Aminopyridine - Chlorobenzene - Halobenzene - Pyridine - Aryl chloride - Aryl halide - Vinylogous amide - Heteroaromatic compound - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Enamine - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Organonitrogen compound - Amine - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organic oxygen compound - Organohalogen compound - Organochloride - 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