Compound Identification
SMILES
NC1=CC=CC(CNC2=CC=CC(=C2)C2=CC=C(S2)C(=O)OCC(O)=O)=C1
InChIKey
InChIKey=MJCMHJXPGJFAKK-UHFFFAOYSA-N
Formula
C20H18N2O4S
Mass
382.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
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Subclass
Phenylmethylamines
- Level 5 Phenylbenzamines
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Subclass
Phenylmethylamines
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylmethylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylbenzamines
Alternative Parents
Thiophene carboxylic acids and derivatives Phenylalkylamines Benzylamines Aniline and substituted anilines Secondary alkylarylamines 2,5-disubstituted thiophenes Heteroaromatic compounds Carboxylic acid esters Amino acids Monocarboxylic acids and derivatives Carboxylic acids Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylbenzamine - Benzylamine - Thiophene carboxylic acid or derivatives - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - 2,5-disubstituted thiophene - Aralkylamine - Thiophene - Heteroaromatic compound - Amino acid - Amino acid or derivatives - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Secondary amine - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Organonitrogen compound - Organooxygen compound - Primary amine - Organic oxygen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylbenzamines. These are aromatic compounds consisting of a benzyl group that is N-linked to a benzamine.
External Descriptors
Not available