Structure Information
Structure

Compound Identification

SMILES

BrC1=CC=CC(=C1)N1C(=S)NC(=O)C(=CC2=CN(CC#N)C3=CC=CC=C23)C1=O

InChIKey

InChIKey=JFCQKMRTGVEOQA-UHFFFAOYSA-N

Formula

C21H13BrN4O2S

Mass

465.33

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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 heteropolycyclic compounds

Substituents

N-alkylindole - N-phenylthiourea - Indole - Indole or derivatives - Thiobarbiturate - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - 1,3-diazinane - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Thiourea - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Cyanide - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic 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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