Structure Information
Structure

Compound Identification

SMILES

C[C@H]1C[C@@H](C)CN(C1)C1=NN=C(SCC(=O)C2=C(O)C=C(O)C=C2)N1CC1=CC=CO1

InChIKey

InChIKey=ZHJYMKWQVDQBHK-GASCZTMLSA-N

Formula

C22H26N4O4S

Mass

442.53

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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 - Aryl thioether - Benzoyl - Resorcinol - Dialkylarylamine - Aryl alkyl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkylarylthioether - Monocyclic benzene moiety - Piperidine - Benzenoid - Azole - Furan - Heteroaromatic compound - 1,2,4-triazole - Vinylogous acid - Thioether - Oxacycle - Sulfenyl compound - Azacycle - Organoheterocyclic compound - Amine - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - 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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