Compound Identification
SMILES
OCCOCN1C(=O)NC(=O)C2=C1SC1=CC=CC=C1NC2
InChIKey
InChIKey=XTDACJNTXWRVFO-UHFFFAOYSA-N
Formula
C14H15N3O4S
Mass
321.35
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
Diarylthioethers Secondary alkylarylamines Pyrimidones Aralkylamines Vinylogous thioesters Benzenoids Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - Diarylthioether - Aryl thioether - Pyrimidone - Secondary aliphatic/aromatic amine - Aralkylamine - Pyrimidine - Vinylogous thioester - Benzenoid - Heteroaromatic compound - Vinylogous amide - Lactam - Urea - Azacycle - Secondary amine - Thioether - Hydrocarbon derivative - Organic oxide - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Alcohol - Amine - 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