Structure Information
Structure

Compound Identification

SMILES

CCN1CCN(CC1)C1=C(Cl)C=C(NC(=S)NC(=O)C2=CC(Cl)=C(OC)C(Cl)=C2)C=C1

InChIKey

InChIKey=CPCRUJLSOCPSSQ-UHFFFAOYSA-N

Formula

C21H23Cl3N4O2S

Mass

501.85

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