Structure Information
Structure

Compound Identification

SMILES

CC1=C(NC(=S)N2CCN(CC2)C(=O)C2COC3=CC=CC=C3O2)C=CC=C1Cl

InChIKey

InChIKey=WDJGYKPYQAWJKQ-UHFFFAOYSA-N

Formula

C21H22ClN3O3S

Mass

431.94

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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

Benzo-1,4-dioxane - Benzodioxane - N-phenylthiourea - Alkyl aryl ether - Chlorobenzene - Toluene - Halobenzene - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Para-dioxin - Tertiary carboxylic acid amide - Carboxamide group - Thiourea - Ether - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Oxacycle - Organochloride - Organohalogen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen 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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