Structure Information
Structure

Compound Identification

SMILES

CC(=O)C1=CC=C(NC(=O)CC2SC(NC3=CC4=C(OCCO4)C=C3)=NC2=O)C=C1

InChIKey

InChIKey=OHUMVTLRIJCDKA-UHFFFAOYSA-N

Formula

C21H19N3O5S

Mass

425.46

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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 - Benzo-1,4-dioxane - Benzodioxane - Acetophenone - Anilide - Benzoyl - Aryl alkyl ketone - N-arylamide - Alkyl aryl ether - Monocyclic benzene moiety - Para-dioxin - Benzenoid - Meta-thiazoline - Carboxamide group - N-acylimine - Isothiourea - Secondary carboxylic acid amide - Propargyl-type 1,3-dipolar organic compound - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Aldehyde - 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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