Compound Identification
SMILES
COC1=CC=C(C=C1)[C@@H]1SC2=CC=CC=C2N(CC2=NCCN2)C(=O)[C@@H]1O
InChIKey
InChIKey=QZHHPNSCOGFEEY-MOPGFXCFSA-N
Formula
C20H21N3O3S
Mass
383.47
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
Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Alkylarylthioethers Imidolactams Tertiary carboxylic acid amides Imidazolines Secondary alcohols Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxamidines Carboximidamides Organopnictogen compounds Carbonyl compounds Amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Imidolactam - Benzenoid - 2-imidazoline - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Secondary alcohol - Organic 1,3-dipolar compound - Amidine - Azacycle - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Thioether - Carboxylic acid amidine - Ether - Carboxylic acid derivative - Organooxygen compound - Alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Organonitrogen 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