Compound Identification
SMILES
IC1=CC=CC=C1C(=O)NCC(=O)N\N=C\C1=CC=C(OC(=O)C2=CC=CS2)C=C1
InChIKey
InChIKey=LQHAQRSYKZMJDZ-WYMPLXKRSA-N
Formula
C21H16IN3O4S
Mass
533.34
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 Phenol esters 2-halobenzoic acids and derivatives Thiophene carboxylic acids and derivatives Phenoxy compounds Benzoyl derivatives Iodobenzenes Aryl iodides Vinylogous halides Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Phenol ester - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Phenoxy compound - Thiophene carboxylic acid or derivatives - Benzoyl - Iodobenzene - Halobenzene - Aryl iodide - Aryl halide - Heteroaromatic compound - Vinylogous halide - Thiophene - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Carbonyl group - 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