Structure Information
Structure

Compound Identification

SMILES

BrC1=CC=C(C=C1)C1=CC=C(O1)C(=O)NC(=S)NC1=CC=CC(=C1)C1=NC2=C(O1)C=CC1=CC=CC=C21

InChIKey

InChIKey=BDZFUVOXKFTZHF-UHFFFAOYSA-N

Formula

C29H18BrN3O3S

Mass

568.45

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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 heteropolycyclic compounds

Substituents

N-acyl-phenylthiourea - Phenyl-1,3-oxazole - Naphthalene - Benzoxazole - Furoic acid or derivatives - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Azole - Furan - Heteroaromatic compound - Oxazole - Thiourea - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Aromatic heteropolycyclic 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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