Structure Information
Structure

Compound Identification

SMILES

COC1=NC(OC)=NC(NS(=O)(=O)C2=CC=C(NC(=S)NC(=O)C=CC3=CC=C(Br)C=C3)C=C2)=C1

InChIKey

InChIKey=MOBLKAXRWBGIKP-UHFFFAOYSA-N

Formula

C22H20BrN5O5S2

Mass

578.46

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