Structure Information
Structure

Compound Identification

SMILES

COC1=C(Br)C=C(C=C1)C(=O)NC(=S)NC1=CC(Cl)=C(C=C1)N1CCN(CC1)C1=C(F)C(F)=C(F)C(F)=C1F

InChIKey

InChIKey=BXCDCBXWKBPWEV-UHFFFAOYSA-N

Formula

C25H19BrClF5N4O2S

Mass

649.86

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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 - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoic acid or derivatives - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - Bromobenzene - Chlorobenzene - Fluorobenzene - Halobenzene - Piperazine - Aryl bromide - Aryl chloride - Aryl fluoride - Aryl halide - 1,4-diazinane - Tertiary amine - Thiourea - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Amine - Organic oxide - Organic oxygen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organosulfur compound - Organobromide - Organohalogen 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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