Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(NC(=S)NC2=CC=CC=C2Br)SC(=C1)C1=CC=CC=C1

InChIKey

InChIKey=FRCFNACOWQEXLI-UHFFFAOYSA-N

Formula

C19H15BrN2O2S2

Mass

447.37

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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 - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Heteroaromatic compound - Thiophene - Methyl ester - Vinylogous amide - Carboxylic acid ester - Thiourea - Organoheterocyclic compound - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - 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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