Compound Identification
SMILES
COC1=CC=C(C=C1)[C@@H]1SC2=C(C=CC(SC3=CC=CC=C3)=C2)N(CCN(C)C)C(=O)[C@@H]1O
InChIKey
InChIKey=ZDXKZNNEBOCAFS-RPBOFIJWSA-N
Formula
C26H28N2O3S2
Mass
480.64
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 Thiophenol ethers Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Alkylarylthioethers Tertiary carboxylic acid amides Trialkylamines Amino acids and derivatives Secondary alcohols Lactams Azacyclic compounds Sulfenyl compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - Diarylthioether - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - Methoxybenzene - Thiophenol ether - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactam - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Ether - Carboxylic acid derivative - Azacycle - Sulfenyl compound - Thioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Alcohol - 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