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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Thiaergolines
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Thiaergolines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Thiaergolines
Alternative Parents
Benzoquinolines Quinoline-3-carboxamides Tetralins Sulfones Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
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