Structure Information
Structure

Compound Identification

SMILES

COC1=C(OCC2=CC=C(Cl)C=C2)C(Br)=CC(=C1)C(=S)N1CCCCC1

InChIKey

InChIKey=UXSUPQHIWDMYHA-UHFFFAOYSA-N

Formula

C20H21BrClNO2S

Mass

454.81

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Phenol ethers

Subclass

Anisoles

Intermediate Tree Nodes

Not available

Direct Parent

Anisoles

Alternative Parents

Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Bromobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Piperidines Thioamides Thiocarboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Thiocarbonyl compounds Organobromides Organochlorides Organonitrogen compounds

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Piperidine - Thioamide - Azacycle - Organoheterocyclic compound - Thiocarboxylic acid amide - Ether - Organooxygen compound - Hydrocarbon derivative - Organosulfur compound - Thiocarbonyl group - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.

External Descriptors

Not available

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