Structure Information
Structure

Compound Identification

SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC1=C(N2CCCCC2)C(Cl)=CC=C1)[N+]([O-])=O

InChIKey

InChIKey=XQLCHEWCAFRMBB-UHFFFAOYSA-N

Formula

C20H21ClN4O4S

Mass

448.92

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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 - Nitrophenyl ether - Benzoic acid or derivatives - Nitrobenzene - Methoxyaniline - Anisole - Benzoyl - Phenoxy compound - Nitroaromatic compound - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl halide - Piperidine - Aryl chloride - Amino acid or derivatives - C-nitro compound - Organic nitro compound - Thiourea - Tertiary amine - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Ether - Organoheterocyclic compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic salt - Organosulfur compound - Organic nitrogen compound - Organic oxide - Amine - Organic oxygen compound - Organic zwitterion - 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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