Compound Identification
SMILES
CC1CC(=O)C2=C(C1)N(CN1CCOCC1)C1=CC=CC=C1SC2C1=CC=CC=C1
InChIKey
InChIKey=NFGACDFGEHXXFA-UHFFFAOYSA-N
Formula
C25H28N2O2S
Mass
420.57
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
Cyclohexenones Alkylarylthioethers Morpholines Benzene and substituted derivatives Vinylogous amides Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - Aryl thioether - Cyclohexenone - Alkylarylthioether - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - Vinylogous amide - Ketone - Dialkyl ether - Ether - Oxacycle - Thioether - Azacycle - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - 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