Structure Information
Structure

Compound Identification

SMILES

COC1=C(NC(=S)NC(=O)COC2=C(Br)C=C(Br)C=C2C)C=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=YSYJMZSGBBOZFF-UHFFFAOYSA-N

Formula

C17H15Br2N3O5S

Mass

533.19

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