Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=CC(NC(=S)NCCC2CCN(CC3=CC=CC=C3)CC2)=C1

InChIKey

InChIKey=GPTAOUMPWHLCJX-UHFFFAOYSA-N

Formula

C21H26N4O2S

Mass

398.53

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Piperidines

Subclass

Benzylpiperidines

Intermediate Tree Nodes

Not available

Direct Parent

N-benzylpiperidines

Alternative Parents

N-phenylthioureas Nitrobenzenes Phenylmethylamines Nitroaromatic compounds Benzylamines Aralkylamines Trialkylamines Thioureas Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

N-benzylpiperidine - N-phenylthiourea - Nitrobenzene - Benzylamine - Nitroaromatic compound - Phenylmethylamine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Organic nitro compound - C-nitro compound - Tertiary amine - Thiourea - Tertiary aliphatic amine - Organic 1,3-dipolar compound - Organic oxoazanium - Azacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organosulfur compound - Organic salt - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - 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

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