Compound Identification
SMILES
CN(C)CCN(CC(=O)NC1=NC(C)=C(C)S1)C(=O)C1=CC(Br)=CC=C1
InChIKey
InChIKey=YNMQOLIKIGIOER-UHFFFAOYSA-N
Formula
C18H23BrN4O2S
Mass
439.37
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
-
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
3-halobenzoic acids and derivatives Alpha amino acids and derivatives 2,4,5-trisubstituted thiazoles N-arylamides Benzoyl derivatives Bromobenzenes Aryl bromides Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - Alpha-amino acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2,4,5-trisubstituted 1,3-thiazole - Benzoyl - N-arylamide - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Thiazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Azole - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Carbonyl group - Amine - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen 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