Structure Information
Structure

Compound Identification

SMILES

CC(C)C1=C(OCC(=O)NC(=S)NC2=CC=C(C=C2)C(N)=O)C=C(C)C(Br)=C1

InChIKey

InChIKey=IYFMDOFKPYXFFW-UHFFFAOYSA-N

Formula

C20H22BrN3O3S

Mass

464.38

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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 homomonocyclic compounds

Substituents

N-acyl-phenylthiourea - P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Benzamide - Benzoic acid or derivatives - Cumene - Phenylpropane - Phenol ether - Phenoxy compound - Benzoyl - Toluene - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Thiourea - Primary carboxylic acid amide - Carboxamide group - Ether - Carboxylic acid derivative - Carbonyl group - Organosulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Aromatic homomonocyclic 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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