Structure Information
Structure

Compound Identification

SMILES

CC1=CC(C)=NC(NS(=O)(=O)C2=CC=C(NC(=S)NC(=O)C3=CC(=C(Cl)C=C3)[N+]([O-])=O)C=C2)=N1

InChIKey

InChIKey=WTIULJNWGRZETE-UHFFFAOYSA-N

Formula

C20H17ClN6O5S2

Mass

520.96

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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 - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Chlorobenzene - Halobenzene - Pyrimidine - Aryl halide - Aryl chloride - Organosulfonic acid amide - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Organic nitro compound - C-nitro compound - Thiourea - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Organic salt - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organosulfur 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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