Structure Information
Structure

Compound Identification

SMILES

[2H]C([2H])(CN1C(=S)NC2=CC=CC=C2C1=O)N1CCC(CC1)C(=O)C1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=KKJOXLNCYXBXRS-KLTYLHELSA-N

Formula

C22H22N4O4S

Mass

440.51

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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 - Quinazoline - Nitrobenzene - Aryl alkyl ketone - Nitroaromatic compound - Benzoyl - 2-thiopyrimidine - Pyrimidinethione - Pyrimidone - Thiopyrimidine - Gamma-aminoketone - Piperidine - Pyrimidine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Organic nitro compound - Lactam - Tertiary amine - Thiourea - Tertiary aliphatic amine - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organoheterocyclic compound - Azacycle - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Amine - Organonitrogen compound - Organosulfur compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - 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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