Compound Identification
SMILES
ClC1=CC=CC=C1C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NC1=NC2=CC=CC=C2S1
InChIKey
InChIKey=QQFIGIPCXYPHNV-UHFFFAOYSA-N
Formula
C25H19ClN4O2S
Mass
474.96
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
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Level 5
Benzamides
- Level 6 Hippuric acids and derivatives
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Level 5
Benzamides
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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 Tryptamines and derivatives Alpha amino acid amides 2-halobenzoic acids and derivatives 3-alkylindoles Benzothiazoles N-arylamides Benzoyl derivatives Chlorobenzenes Substituted pyrroles Aryl chlorides Fatty amides Vinylogous halides Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organic oxides Organochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Triptan - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - 3-alkylindole - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Indole - Indole or derivatives - 1,3-benzothiazole - Benzoyl - N-arylamide - Halobenzene - Chlorobenzene - Fatty amide - Aryl chloride - Fatty acyl - Aryl halide - Substituted pyrrole - Vinylogous halide - Pyrrole - Azole - Heteroaromatic compound - Thiazole - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organohalogen compound - Aromatic heteropolycyclic 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