Structure Information
Structure

Compound Identification

SMILES

ClC1=C(C=C(I)C=C1)C(=O)NC(=S)NC1=CC=CC(=C1)C1=NC2=C(O1)C=CC1=CC=CC=C21

InChIKey

InChIKey=NTFFZXKYXIGAIG-UHFFFAOYSA-N

Formula

C25H15ClIN3O2S

Mass

583.83

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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 - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoxazole - Benzoyl - Chlorobenzene - Iodobenzene - Halobenzene - Aryl chloride - Aryl halide - Aryl iodide - Azole - Oxazole - Vinylogous halide - Heteroaromatic compound - Thiourea - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organoiodide - Organohalogen compound - Organochloride - 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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