Structure Information
Structure

Compound Identification

SMILES

CN1C(=S)NC2=C(NC(=O)NC3=CC=CC=C3Br)C=CC(C#N)=C12

InChIKey

InChIKey=ULWFKOAZBGYOJW-UHFFFAOYSA-N

Formula

C16H12BrN5OS

Mass

402.27

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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 heteropolycyclic compounds

Substituents

N-phenylurea - Benzimidazole - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Imidazole-2-thione - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Urea - Thiourea - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Cyanide - Organohalogen compound - Organobromide - Aromatic heteropolycyclic 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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