Structure Information
Structure

Compound Identification

SMILES

CC(=O)C1=CC=C(NC(=O)CSC2=NC(=O)N(N)C(CCC(O)=O)=N2)C=C1

InChIKey

InChIKey=JKRMTHJSAVGAHU-UHFFFAOYSA-N

Formula

C16H17N5O5S

Mass

391.4

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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 - Acetophenone - Anilide - N-arylamide - Aryl alkyl ketone - Alkyl-2-thio-s-triazine - Benzoyl - Aryl thioether - Triazinone - Alkylarylthioether - 1,3,5-triazine - Benzenoid - Triazine - Monocyclic benzene moiety - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Thioether - Sulfenyl compound - Hydrocarbon derivative - Organonitrogen compound - Organosulfur 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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