Structure Information
Structure

Compound Identification

SMILES

CC(=O)C1=CC=C(NC(=S)NCCN2C(=O)SC(=CC3=CC(Br)=CC=C3)C2=O)C=C1

InChIKey

InChIKey=IHXRXCGBMRUVNS-UHFFFAOYSA-N

Formula

C21H18BrN3O3S2

Mass

504.42

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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 - N-phenylthiourea - Acetophenone - Benzoyl - Aryl alkyl ketone - Bromobenzene - Halobenzene - Thiazolidinedione - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Dicarboximide - Thiazolidine - Thiocarbamic acid derivative - Thiourea - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organosulfur compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - 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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