Structure Information
Structure

Compound Identification

SMILES

CC1=C(NC(=S)NC(=O)COC2=C(Cl)C=C(Br)C=C2)C=CC=C1[N+]([O-])=O

InChIKey

InChIKey=WKEGHFWRUISGJG-UHFFFAOYSA-N

Formula

C16H13BrClN3O4S

Mass

458.71

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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 - Nitrobenzene - Nitrotoluene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Toluene - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Thiourea - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organosulfur compound - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organic salt - Organobromide - Organochloride - Organonitrogen compound - Organooxygen 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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