Structure Information
Structure

Compound Identification

SMILES

CCCC(C)OC(=O)C1=C(O)C=C(NC(=S)NC(=O)C2=CC=C(C=C2)C#N)C=C1

InChIKey

InChIKey=GJMCFEIDOHJSCQ-UHFFFAOYSA-N

Formula

C21H21N3O4S

Mass

411.48

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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 homomonocyclic compounds

Substituents

N-acyl-phenylthiourea - O-hydroxybenzoic acid ester - Benzoate ester - Salicylic acid or derivatives - Benzoic acid or derivatives - Benzonitrile - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Vinylogous acid - Thiourea - Carboxylic acid ester - Carboxylic acid derivative - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Aromatic homomonocyclic 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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