Structure Information
Structure

Compound Identification

SMILES

COC1=C(C)C=C(Br)C=C1C(=O)NC(=S)NC1=C(N2CCCCC2)C(Cl)=CC=C1

InChIKey

InChIKey=XMSSHISKDKIBKN-UHFFFAOYSA-N

Formula

C21H23BrClN3O2S

Mass

496.85

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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 - Phenylpiperidine - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - M-toluamide - Toluamide - Benzoyl - Phenoxy compound - Phenol ether - Tertiary aliphatic/aromatic amine - Anisole - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - Bromobenzene - Toluene - Alkyl aryl ether - Halobenzene - Chlorobenzene - Piperidine - Aryl bromide - Aryl halide - Aryl chloride - Thiourea - Tertiary amine - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Organic oxide - Organobromide - Organohalogen 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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