Structure Information
Structure

Compound Identification

SMILES

ClC1=CC=CC(NC(=S)NC(=O)C2=CC=C(O2)C2=CC=C(Br)C=C2)=C1N1CCCCC1

InChIKey

InChIKey=JDCDXAATHXWMCU-UHFFFAOYSA-N

Formula

C23H21BrClN3O2S

Mass

518.85

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

N-phenylthioureas

Intermediate Tree Nodes

Not available

Direct Parent

N-acyl-phenylthioureas

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

N-acyl-phenylthiourea - Phenylpiperidine - Furoic acid or derivatives - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Bromobenzene - Chlorobenzene - Halobenzene - Piperidine - Aryl bromide - Aryl chloride - Aryl halide - Heteroaromatic compound - Furan - Thiourea - Tertiary amine - Amino acid or derivatives - Oxacycle - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organobromide - Organochloride - Amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as n-acyl-phenylthioureas. These are thiourea derivatives where one nitrogen atom of the urea group is linked to a phenyl group and the other is acylated.

External Descriptors

Not available

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