Structure Information
Structure

Compound Identification

SMILES

Cl.O=C(CSC1=CC=NC2=CC=CC=C12)C1=CC=C(C=C1)N1CCNCC1

InChIKey

InChIKey=XKQBSOAZDWAJDC-UHFFFAOYSA-N

Formula

C21H22ClN3OS

Mass

399.94

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Ketones - Aryl ketones - Phenylketones

Direct Parent

Alkyl-phenylketones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Alkyl-phenylketone - Phenylpiperazine - N-arylpiperazine - Quinoline - Benzoyl - Aryl thioether - Tertiary aliphatic/aromatic amine - Aryl alkyl ketone - Dialkylarylamine - Aniline or substituted anilines - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - 1,4-diazinane - Pyridine - Piperazine - Heteroaromatic compound - Tertiary amine - Secondary aliphatic amine - Organoheterocyclic compound - Azacycle - Sulfenyl compound - Thioether - Secondary amine - Organic oxide - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Hydrochloride - Organopnictogen compound - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.

External Descriptors

Not available

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