Structure Information
Structure

Compound Identification

SMILES

O=C(CCC1=CC=CC=C1)N1CCSC11CCN(CC1)C(=O)C=CC1=CC=CC=C1

InChIKey

InChIKey=AMGDPVQBFKTBKE-UHFFFAOYSA-N

Formula

C25H28N2O2S

Mass

420.57

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Cinnamic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cinnamic acid or derivatives - Azaspirodecane - N-acyl-piperidine - Styrene - Monocyclic benzene moiety - Piperidine - Benzenoid - Tertiary carboxylic acid amide - Thiazolidine - Carboxamide group - Thioether - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Hemithioaminal - Dialkylthioether - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.

External Descriptors

Not available

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