Compound Identification
SMILES
CC(NC(=O)C1=C(Cl)C=C(Cl)C=C1)C(=O)NC1=NN=C(S1)C1=CC=CC=C1
InChIKey
InChIKey=BCKSLWOCJFHJIB-UHFFFAOYSA-N
Formula
C18H14Cl2N4O2S
Mass
421.3
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 Alpha amino acid amides Alanine and derivatives 2-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives N-arylamides Benzoyl derivatives Dichlorobenzenes Aryl chlorides Vinylogous halides Thiadiazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organic oxides Organochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - Alanine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzoyl - 1,3-dichlorobenzene - N-arylamide - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Heteroaromatic compound - Azole - Thiadiazole - Vinylogous halide - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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