Structure Information
Structure

Compound Identification

SMILES

CCCC(=O)N1CCN(CC1)C1=CC=C(NC(=S)NC(=O)C2=C(OC)C=CC(Br)=C2)C=C1

InChIKey

InChIKey=QXFKYINYZAICSK-UHFFFAOYSA-N

Formula

C23H27BrN4O3S

Mass

519.46

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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 - Phenylpiperazine - N-arylpiperazine - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Phenoxy compound - Phenol ether - Tertiary aliphatic/aromatic amine - Anisole - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - Halobenzene - Alkyl aryl ether - Bromobenzene - Piperazine - Aryl halide - 1,4-diazinane - Aryl bromide - Tertiary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Thiourea - Carboxamide group - Ether - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - 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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