Compound Identification
SMILES
CC1=C(C)C(NCC2=CC(NC[C@@H](N)CS)=CC=C2)=CC=C1
InChIKey
InChIKey=TWSAPULBRQCWNL-MRXNPFEDSA-N
Formula
C18H25N3S
Mass
315.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Phenylmethylamines
- Level 5 Phenylbenzamines
-
Subclass
Phenylmethylamines
-
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
o-Xylenes Phenylalkylamines Benzylamines Aniline and substituted anilines Secondary alkylarylamines Alkylthiols Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylbenzamine - Benzylamine - O-xylene - Xylene - Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Aralkylamine - Alkylthiol - Secondary amine - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organonitrogen compound - Primary aliphatic amine - Organopnictogen compound - Amine - Aromatic homomonocyclic 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