Compound Identification
SMILES
CCCCC1(CCCC)CS(=O)(=O)C2=C(C=C(C=C2)N(C)C)C(N1)C1=CC(NC(=S)CCCCC[N+]23CCC(CC2)CC3)=CC=C1
InChIKey
InChIKey=XUXGCNWDKICNRN-UHFFFAOYSA-O
Formula
C38H59N4O2S2
Mass
668.04
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiazepines
Alternative Parents
Quinuclidines Dialkylarylamines Aralkylamines Piperidines Benzene and substituted derivatives Thioamides Tetraalkylammonium salts Sulfones Thiocarboxylic acid amides Dialkylamines Azacyclic compounds Thiocarbonyl compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - Quinuclidine - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aralkylamine - Monocyclic benzene moiety - Piperidine - Benzenoid - Tetraalkylammonium salt - Quaternary ammonium salt - Sulfone - Thioamide - Tertiary amine - Thiocarboxylic acid amide - Secondary amine - Azacycle - Secondary aliphatic amine - Amine - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Thiocarbonyl group - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiazepines. These are organic compounds containing a benzene fused to a thiazepine ring (a seven-membered ring with a nitrogen atom and a sulfur atom replacing two carbon atoms).
External Descriptors
Not available