Structure Information
Structure

Compound Identification

SMILES

COC1=C(NC(=S)N(CC2=CC3=C(OCO3)C=C2)C2CCN(C)CC2)C=CC(Cl)=C1

InChIKey

InChIKey=BDRURRZGRWIJOZ-UHFFFAOYSA-N

Formula

C22H26ClN3O3S

Mass

447.98

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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 - Benzodioxole - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Piperidine - Aryl chloride - Aryl halide - Tertiary aliphatic amine - Thiourea - Tertiary amine - Azacycle - Oxacycle - Organoheterocyclic compound - Acetal - Ether - Hydrocarbon derivative - Amine - Organopnictogen compound - Organohalogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Organic nitrogen 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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