Structure Information
Structure

Compound Identification

SMILES

COC1=C(C)C=C(Br)C=C1C(=O)NC(=S)NC1=C(C=C(Cl)C=C1)C1=NC2=CC=CC=C2S1

InChIKey

InChIKey=NBPRRBFCJRRAEP-UHFFFAOYSA-N

Formula

C23H17BrClN3O2S2

Mass

546.88

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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 heteropolycyclic compounds

Substituents

N-acyl-phenylthiourea - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 1,3-benzothiazole - Benzoic acid or derivatives - Toluamide - M-toluamide - Benzoyl - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Chlorobenzene - Toluene - Bromobenzene - Halobenzene - Alkyl aryl ether - Aryl chloride - Aryl bromide - Aryl halide - Thiazole - Azole - Heteroaromatic compound - Thiourea - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organobromide - Organic oxide - Organohalogen compound - Aromatic heteropolycyclic 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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