Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C(=O)CCCCCCCSC2=NC=C(CC3=CN=CC=C3)C(=O)N2)C2=CC=CC=C12

InChIKey

InChIKey=XRALMMCYKBRGAA-UHFFFAOYSA-N

Formula

C29H31N3O2S

Mass

485.65

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Butyrophenones

Intermediate Tree Nodes

Not available

Direct Parent

Butyrophenones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Butyrophenone - Naphthalene - Aryl thioether - Aryl alkyl ketone - Aryl ketone - Alkylarylthioether - Pyrimidone - Hydropyrimidine - Pyridine - Pyrimidine - Heteroaromatic compound - Ketone - Lactam - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as butyrophenones. These are compounds containing 1-phenylbutan-1-one moiety.

External Descriptors

Not available

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