Structure Information
Structure

Compound Identification

SMILES

COC1=CC(OC)=C(C=C1)C(=O)[C@@H]1CCCN(CC2=CN=C(SC)N=C2)C1

InChIKey

InChIKey=HPXIGIQJXXGTEO-OAHLLOKOSA-N

Formula

C20H25N3O3S

Mass

387.5

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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 heteromonocyclic compounds

Substituents

Alkyl-phenylketone - M-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - Aryl alkyl ketone - Benzoyl - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Alkylarylthioether - Pyrimidine - Piperidine - Monocyclic benzene moiety - Beta-aminoketone - Benzenoid - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Ether - Sulfenyl compound - Thioether - Amine - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic heteromonocyclic 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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