Compound Identification
SMILES
CC1=C(C=C(Cl)C=C1)N1C(SCC2=NC(=CS2)C(=O)NC2CCN(CC3=CC=CC=C3)CC2)=NN=C1C1=CN=CC=C1
InChIKey
InChIKey=NNOHUAAGXNPKNR-UHFFFAOYSA-N
Formula
C31H30ClN7OS2
Mass
616.2
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Piperidines
-
Subclass
Benzylpiperidines
- Level 5 N-benzylpiperidines
-
Subclass
Benzylpiperidines
-
Class
Piperidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Piperidines
Subclass
Benzylpiperidines
Intermediate Tree Nodes
Not available
Direct Parent
N-benzylpiperidines
Alternative Parents
Pyridyl-1,2,4-triazoles Phenyl-1,2,4-triazoles Thiazolecarboxamides 2-heteroaryl carboxamides Phenylmethylamines Benzylamines 2,4-disubstituted thiazoles Toluenes Alkylarylthioethers Aralkylamines Chlorobenzenes Aryl chlorides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Sulfenyl compounds Organic oxides Organochlorides Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-benzylpiperidine - Phenyltriazole - Phenyl-1,2,4-triazole - Pyridyltriazole - Pyridyl-1,2,4-triazole - Benzylamine - 2-heteroaryl carboxamide - Phenylmethylamine - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - Aryl thioether - Aralkylamine - Alkylarylthioether - Toluene - 2,4-disubstituted 1,3-thiazole - Chlorobenzene - Halobenzene - Aryl halide - Benzenoid - Monocyclic benzene moiety - Aryl chloride - Pyridine - Heteroaromatic compound - 1,2,4-triazole - Triazole - Azole - Thiazole - Tertiary aliphatic amine - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Thioether - Sulfenyl compound - Organohalogen compound - Amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
External Descriptors
Not available