Structure Information
Structure

Compound Identification

SMILES

CC1=CC(C)=NC(NS(=O)(=O)C2=CC=C(NC(=S)NC(=O)COC3=CC=C(Br)C=C3)C=C2)=N1

InChIKey

InChIKey=ZMCYWMSPDQHLDW-UHFFFAOYSA-N

Formula

C21H20BrN5O4S2

Mass

550.45

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