Compound Identification
SMILES
CSC1=NC2=C(S1)C=C(NC(=O)C(NC(=O)C1=CC=C(C)C=C1)C(C)C)C=C2
InChIKey
InChIKey=HFKPELCBDQJTFB-UHFFFAOYSA-N
Formula
C21H23N3O2S2
Mass
413.55
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
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
-
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
Valine and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides p-Toluamides Benzothiazoles N-arylamides Benzoyl derivatives Alkylarylthioethers Fatty amides Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Valine or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - P-toluamide - 1,3-benzothiazole - Toluamide - Benzoyl - N-arylamide - Aryl thioether - Alkylarylthioether - Toluene - Fatty acyl - Fatty amide - Thiazole - Heteroaromatic compound - Azole - Carboxamide group - Secondary carboxylic acid amide - Thioether - Sulfenyl compound - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur 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