Compound Identification
SMILES
CCCN(CCC(=O)N1CCCSC2=CC=CC=C12)CCC1=CC(OC)=C(OC)C=C1
InChIKey
InChIKey=SHAUWVGTIWTUHC-UHFFFAOYSA-N
Formula
C25H34N2O3S
Mass
442.62
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 Dimethoxybenzenes Phenethylamines Phenoxy compounds Anisoles Aralkylamines Alkylarylthioethers Alkyl aryl ethers Tertiary carboxylic acid amides Trialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - Beta amino acid or derivatives - O-dimethoxybenzene - Dimethoxybenzene - Phenethylamine - Phenoxy compound - Aryl thioether - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Aralkylamine - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Ether - Carboxylic acid derivative - Azacycle - Thioether - Organonitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - 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