Structure Information
Structure

Compound Identification

SMILES

CC(C)C1=CC=CC=C1SC1=C(C=C(\C=C\C(=O)N2CCN(CC2)C(=O)C2=CC=NC=C2)C=C1)[N+]([O-])=O

InChIKey

InChIKey=OCQSLVRRSSLDCT-CSKARUKUSA-N

Formula

C28H28N4O4S

Mass

516.62

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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 heteromonocyclic compounds

Substituents

Cinnamic acid or derivatives - Diarylthioether - Pyridine carboxylic acid or derivatives - Phenylpropane - Nitrobenzene - Cumene - Styrene - Thiophenol ether - Aryl thioether - Nitroaromatic compound - 1,4-diazinane - Monocyclic benzene moiety - Piperazine - Benzenoid - Pyridine - Heteroaromatic compound - Tertiary carboxylic acid amide - Organic nitro compound - C-nitro compound - Carboxamide group - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Thioether - Organic oxygen compound - Organic salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic cation - Aromatic heteromonocyclic 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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