Structure Information
Structure

Compound Identification

SMILES

CSC1=C(C#N)C(=C(S1)C1=NC(NC2=CC(OCCCNCCCO)=CC=C2)=NC=C1)C1=CC(O)=CC=C1

InChIKey

InChIKey=LLBYAHVXPNAFIK-UHFFFAOYSA-N

Formula

C28H29N5O3S2

Mass

547.69

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Phenol ethers

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Phenol ethers

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Phenoxy compound - Aryl thioether - Phenol ether - Aniline or substituted anilines - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aminopyrimidine - Phenol - Alkylarylthioether - Monocyclic benzene moiety - Pyrimidine - 1,3-aminoalcohol - Heteroaromatic compound - Thiophene - Thioether - Secondary amine - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Alkanolamine - Secondary aliphatic amine - Ether - Carbonitrile - Nitrile - Primary alcohol - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Cyanide - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.

External Descriptors

Not available

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