Compound Identification
SMILES
CC1=CC=C(C=C1)C1=CSC(NC(=O)C(SC2=CC=CC(NC(=O)C(\NC(=O)C3=CC=CC=C3)=C/C3=CC(Br)=CC=C3)=C2)C2=CC=CC=C2)=C1C#N
InChIKey
InChIKey=QBCPMZTWOBVUSE-GUBAARJWSA-N
Formula
C42H31BrN4O3S2
Mass
783.76
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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 Alpha amino acid amides Cinnamic acid amides Phenylacetamides Anilides Benzoyl derivatives N-arylamides Thiophenol ethers Toluenes Alkylarylthioethers Bromobenzenes Aryl bromides Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Nitriles Carbonyl compounds Organic oxides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Cinnamic acid amide - Cinnamic acid or derivatives - Alpha-amino acid or derivatives - Phenylacetamide - Anilide - Aryl thioether - Benzoyl - Thiophenol ether - N-arylamide - Bromobenzene - Halobenzene - Toluene - Alkylarylthioether - Aryl bromide - Aryl halide - Thiophene - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Thioether - Sulfenyl compound - Nitrile - Carbonitrile - Organoheterocyclic compound - Carboxylic acid derivative - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Carbonyl group - Organic nitrogen compound - Cyanide - 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