Structure Information
Structure

Compound Identification

SMILES

Cl.NC1=C(CSC2=CC=CC=C2)C(=C\C(N1)=C1/C(=O)C=CC=C1OCC1CC1)C1CCCNC1

InChIKey

InChIKey=YRTHJCOJAPKILQ-NYIQPMNJSA-N

Formula

C27H32ClN3O2S

Mass

498.08

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Ketones - Cyclic ketones - Quinomethanes

Direct Parent

O-quinomethanes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Aryl thioether - O-quinomethane - Thiophenol ether - Dihydropyridine - Alkylarylthioether - Monocyclic benzene moiety - Hydropyridine - Piperidine - Benzenoid - Vinylogous amide - Ketene acetal or derivatives - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary amine - Thioether - Sulfenyl compound - Hydrochloride - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as o-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 2, respectively.

External Descriptors

Not available

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