Compound Identification
SMILES
OC(=O)[C@H](CNC(=O)C1=CC=C(Br)S1)NC(=O)C1=C(Cl)C=C(C=C1Cl)C(=O)NCC1=CC(O)=CC=C1
InChIKey
InChIKey=JXZUQDFTFPYOML-INIZCTEOSA-N
Formula
C23H18BrCl2N3O6S
Mass
615.28
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
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Level 5
Benzamides
- Level 6 N-benzylbenzamides
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Level 5
Benzamides
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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
N-benzylbenzamides
Alternative Parents
N-acyl-alpha amino acids Hippuric acids 2-halobenzoic acids and derivatives 3-halobenzoic acids and derivatives Thiophene carboxamides 2-heteroaryl carboxamides Benzoyl derivatives Dichlorobenzenes 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 2,5-disubstituted thiophenes Aryl bromides Aryl chlorides Vinylogous halides Heteroaromatic compounds Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Organonitrogen compounds Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-benzylbenzamide - Hippuric acid or derivatives - Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 2-heteroaryl carboxamide - Benzoyl - 1,3-dichlorobenzene - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 1-hydroxy-4-unsubstituted benzenoid - Chlorobenzene - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Phenol - 2,5-disubstituted thiophene - Aryl halide - Aryl bromide - Aryl chloride - Heteroaromatic compound - Vinylogous halide - Thiophene - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-benzylbenzamides. These are compounds containing a benzamide moiety that is N-linked to a benzyl group.
External Descriptors
Not available