Structure Information
Structure

Compound Identification

SMILES

NC(=O)C1=C([C@@H](CSCC2=CC=CC=C2)C(=O)NCC#N)C(NC(=O)NC2=NN=CS2)=CC=C1

InChIKey

InChIKey=PRSMSBLKGUPRRU-MRXNPFEDSA-N

Formula

C22H21N7O3S2

Mass

495.58

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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 - Phenylacetamide - 1,3,4-thiadiazol-2-ylurea - Benzamide - Benzoic acid or derivatives - Benzoyl - Azole - Heteroaromatic compound - Thiadiazole - Carboxamide group - Primary carboxylic acid amide - Secondary carboxylic acid amide - Urea - Carboxylic acid derivative - Azacycle - Carbonitrile - Nitrile - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Thioether - Organic oxygen compound - Organic nitrogen compound - Cyanide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - 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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