Structure Information
Structure

Compound Identification

SMILES

CCC1=NN=C(NS(=O)(=O)C2=CC=C(NC(=S)NC(=O)C=CC3=CC=C(F)C=C3)C=C2)S1

InChIKey

InChIKey=SYSMVOANBVDZNG-UHFFFAOYSA-N

Formula

C20H18FN5O3S3

Mass

491.57

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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 - Cinnamic acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Styrene - Fluorobenzene - Halobenzene - Organosulfonic acid amide - Aryl halide - Aryl fluoride - Heteroaromatic compound - Aminosulfonyl compound - Thiadiazole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azole - Thiourea - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organosulfur compound - Organohalogen compound - Organofluoride - Organonitrogen 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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