Structure Information
Structure

Compound Identification

SMILES

CCC(CO)NC(=O)C1CN(C)C2CC3=CS(=O)(=O)C4=CC=CC(=C34)C2=C1

InChIKey

InChIKey=WUPYCDIJQGDIGT-UHFFFAOYSA-N

Formula

C20H24N2O4S

Mass

388.48

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Thiaergolines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Thiaergolines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Thiaergoline - Benzoquinoline - Quinoline-3-carboxamide - Tetralin - Quinoline - Benzenoid - Sulfone - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as thiaergolines. These are ergoline analogues, obtained by replacing the oxygen atom in the indole moiety (of the ergoline backbone) by a sulfur atom.

External Descriptors

Not available

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