Structure Information
Structure

Compound Identification

SMILES

OC1=C(Br)C=C(C=C1Br)C(=O)NN=CC1C(=O)NC(=S)N(C1=O)C1=CC=CC=C1

InChIKey

InChIKey=QNJLPGAFPHKGCU-UHFFFAOYSA-N

Formula

C18H12Br2N4O4S

Mass

540.19

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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-phenylthioureas

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - N-phenylthiourea - Benzoic acid or derivatives - Thiobarbiturate - Benzoyl - 2-halophenol - 2-bromophenol - Bromobenzene - Phenol - Halobenzene - Aryl bromide - Aryl halide - 1,3-diazinane - 1,3-dicarbonyl compound - Thiourea - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as n-phenylthioureas. These are compounds containing a N-phenylthiourea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a thiourea group.

External Descriptors

Not available

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