Structure Information
Structure

Compound Identification

SMILES

CC1=C(C)C=C(C=C1)N1C(=S)NC(=O)C(=CC2=CC3=C(C=C2)N(CC2=CC=CC=C2Cl)CC3)C1=O

InChIKey

InChIKey=AOQSMAUXOYZGLG-UHFFFAOYSA-N

Formula

C28H24ClN3O2S

Mass

502.03

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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 - Indole or derivatives - Thiobarbiturate - Benzylamine - O-xylene - Xylene - Phenylmethylamine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - 1,3-diazinane - Tertiary amine - Thiourea - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organohalogen compound - Amine - Organochloride - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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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