Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)N1C(=O)\C(=N\NC2=CC=C(Cl)C=C2)C(=O)N(C1=S)C1=CC=C(Br)C=C1

InChIKey

InChIKey=DJYSIPBANZOEET-NHFJDJAPSA-N

Formula

C23H16BrClN4O3S

Mass

543.82

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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

N-phenylthiourea - Thiobarbiturate - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Phenylhydrazine - Methoxybenzene - Alkyl aryl ether - Halobenzene - Chlorobenzene - Bromobenzene - Aryl bromide - Aryl chloride - Aryl halide - 1,3-diazinane - Thiourea - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Hydrazone - Organic oxide - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organobromide - 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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