Compound Identification
SMILES
ClC1=C(SC2=CC=CC=C12)C(=O)OC1=CC=CC(C=NNC(=O)CNC(=O)C2=CC(Br)=CC=C2)=C1
InChIKey
InChIKey=UANOWJYVSUIAFC-UHFFFAOYSA-N
Formula
C25H17BrClN3O4S
Mass
570.84
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
N-acyl-alpha amino acids and derivatives 3-halobenzoic acids and derivatives Phenol esters 1-benzothiophenes Phenoxy compounds Thiophene carboxylic acids and derivatives Benzoyl derivatives Bromobenzenes Aryl bromides Aryl chlorides Vinylogous halides Heteroaromatic compounds Carboxylic acid esters Secondary carboxylic acid amides Carbonyl compounds Organonitrogen compounds Organic oxides Organobromides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Phenol ester - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 1-benzothiophene - Benzothiophene - Phenoxy compound - Benzoyl - Thiophene carboxylic acid or derivatives - Halobenzene - Bromobenzene - Aryl halide - Aryl chloride - Aryl bromide - Vinylogous halide - Heteroaromatic compound - Thiophene - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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