Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)C1=CC(C(=O)N2CCS(=O)(=O)CC2)=C(NC(=O)NC2=C(Cl)C=C(C=C2)C#N)S1

InChIKey

InChIKey=JOFOEPZYJPTIHZ-UHFFFAOYSA-N

Formula

C21H23ClN4O4S2

Mass

495.01

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

N-phenylureas

Intermediate Tree Nodes

Not available

Direct Parent

N-phenylureas

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

N-phenylurea - Benzonitrile - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - 1,4-thiazinane - Heteroaromatic compound - Sulfone - Tertiary carboxylic acid amide - Vinylogous amide - Thiophene - Urea - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Carbonitrile - Nitrile - Organic oxygen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Cyanide - Carbonyl group - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.

External Descriptors

Not available

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