Compound Identification
SMILES
COS(O)(=O)=O.COS(O)(=O)=O.CN1CCN(C[C@H]2[C@H](SC3=CC=CC=C3NC2=O)C2=CC=CC=C2)CC1
InChIKey
InChIKey=ZQIZBIUFBVYCNN-RHXOVYDGSA-N
Formula
C23H33N3O9S3
Mass
591.71
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
N-methylpiperazines Aralkylamines Alkylarylthioethers Sulfuric acid monoesters Benzene and substituted derivatives Alkyl sulfates Trialkylamines Secondary carboxylic acid amides Lactams Amino acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Benzothiazepine - Aryl thioether - N-methylpiperazine - N-alkylpiperazine - Alkylarylthioether - Aralkylamine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Sulfuric acid monoester - Sulfate-ester - Alkyl sulfate - Sulfuric acid ester - Benzenoid - Organic sulfuric acid or derivatives - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Tertiary aliphatic amine - Amino acid or derivatives - Lactam - Thioether - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Amine - Hydrocarbon derivative - 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