Structure Information
Structure

Compound Identification

SMILES

CC(C)C1=CC=C(NC(=S)NC2=CC=C(CCNC(=O)C(=O)C3=CC4=CC=CC=C4S3)C=C2)C=C1

InChIKey

InChIKey=ZLFHIAQNGKKPJT-UHFFFAOYSA-N

Formula

C28H27N3O2S2

Mass

501.66

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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 heteropolycyclic compounds

Substituents

N-phenylthiourea - Benzothiophene - Cumene - 1-benzothiophene - Phenylpropane - Aryl ketone - 2,3,5-trisubstituted thiophene - Heteroaromatic compound - Thiophene - Carboxamide group - Ketone - Secondary carboxylic acid amide - Thiourea - Carboxylic acid derivative - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Aromatic heteropolycyclic 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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