Structure Information
Structure

Compound Identification

SMILES

COC1=C(C)C=C(Br)C=C1C(=O)NC(=S)NC1=C(Cl)C=CC(=C1)C1=NC2=C(O1)C=CC(C)=C2

InChIKey

InChIKey=QFXNSKCOBNNFKD-UHFFFAOYSA-N

Formula

C24H19BrClN3O3S

Mass

544.85

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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 - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoxazole - Benzoic acid or derivatives - M-toluamide - Toluamide - Benzoyl - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Bromobenzene - Chlorobenzene - Toluene - Halobenzene - Alkyl aryl ether - Aryl bromide - Aryl chloride - Aryl halide - Oxazole - Azole - Heteroaromatic compound - Thiourea - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organopnictogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organochloride - Organobromide - Organohalogen 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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