Structure Information
Structure

Compound Identification

SMILES

CCC(C)C1=CC2=C(OC(=N2)C2=CC=C(NC(=S)NC(=O)C3=C(Cl)C4=CC=CC=C4S3)C=C2)C=C1

InChIKey

InChIKey=RTBGEGLWYWNAAB-UHFFFAOYSA-N

Formula

C27H22ClN3O2S2

Mass

520.06

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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 - Benzothiophene - Benzoxazole - 1-benzothiophene - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Aryl chloride - Aryl halide - Heteroaromatic compound - Vinylogous halide - Thiophene - Oxazole - Azole - Thiourea - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Hydrocarbon derivative - 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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