Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=CC=C1C1=CSC(=N1)C1CCN(CC1)C(=O)NC1=C(F)C=C(Br)C=C1

InChIKey

InChIKey=LQVNEDUBAJEHOW-UHFFFAOYSA-N

Formula

C21H18BrFN4O3S

Mass

505.36

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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 - Nitrobenzene - 1-piperidinecarboxamide - Piperidinecarboxamide - Nitroaromatic compound - 2,4-disubstituted 1,3-thiazole - Bromobenzene - Fluorobenzene - Halobenzene - Aryl halide - Aryl bromide - Piperidine - Aryl fluoride - Heteroaromatic compound - Azole - Thiazole - Organic nitro compound - Urea - C-nitro compound - Azacycle - Organic 1,3-dipolar compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic zwitterion - Carbonyl group - Organohalogen compound - Organic salt - Organobromide - Organofluoride - Organonitrogen compound - Organooxygen compound - 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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