Compound Identification
SMILES
CC1=CC(OCCNCCC(=O)N2CCCSC3=CC=CC=C23)=CC=C1
InChIKey
InChIKey=ATNFIZJXWHROPO-UHFFFAOYSA-N
Formula
C21H26N2O2S
Mass
370.51
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
Beta amino acids and derivatives Phenoxy compounds Phenol ethers Toluenes Alkylarylthioethers Alkyl aryl ethers Tertiary carboxylic acid amides Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Benzothiazepine - Phenoxy compound - Aryl thioether - Phenol ether - Alkylarylthioether - Toluene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Azacycle - Thioether - Secondary amine - Ether - Secondary aliphatic amine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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