Structure Information
Structure

Compound Identification

SMILES

COC1=NC=CN=C1NS(=O)(=O)C1=CC=C(NC(=S)NC(=O)C=CC2=CC=C(Br)C=C2)C=C1

InChIKey

InChIKey=DTBDYHKVWSEXNC-UHFFFAOYSA-N

Formula

C21H18BrN5O4S2

Mass

548.43

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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 - Cinnamic acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Methoxypyrazine - Styrene - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Imidolactam - Pyrazine - Organosulfonic acid amide - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Thiourea - Organoheterocyclic compound - Ether - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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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