Compound Identification
SMILES
OCCOCCN1CCN(CC1)C1=NC2=CC=CC=C2SC2(O)C(O)C=CC=C12
InChIKey
InChIKey=OFGJFIKJMHIPDI-UHFFFAOYSA-N
Formula
C21H27N3O4S
Mass
417.52
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
Aryl thioethers N-alkylpiperazines Imidolactams Benzenoids Trialkylamines Secondary alcohols Propargyl-type 1,3-dipolar organic compounds Dialkyl ethers Carboxamidines Azacyclic compounds Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - Aryl thioether - N-alkylpiperazine - 1,4-diazinane - Piperazine - Imidolactam - Benzenoid - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Amidine - Carboxylic acid amidine - Dialkyl ether - Ether - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organopnictogen compound - Primary alcohol - Hydrocarbon derivative - 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