Compound Identification
SMILES
COC1=CC=C(C=C1)[C@@H]1SC2=C(C=CC(C)=C2)N(CCN(C)CC2=CC=CC=C2)C(=O)[C@@H]1O
InChIKey
InChIKey=XTZUIQAVQFJQLQ-FTJBHMTQSA-N
Formula
C27H30N2O3S
Mass
462.61
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
Anisoles Benzylamines Methoxybenzenes Phenylmethylamines Phenoxy compounds Alkyl aryl ethers Alkylarylthioethers Aralkylamines Tertiary carboxylic acid amides Amino acids and derivatives Trialkylamines Lactams Secondary alcohols Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - Anisole - Benzylamine - Phenol ether - Phenylmethylamine - Methoxybenzene - Aryl thioether - Phenoxy compound - Aralkylamine - Alkylarylthioether - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Carboxamide group - Lactam - Amino acid or derivatives - Secondary alcohol - Tertiary amine - Ether - Carboxylic acid derivative - Thioether - Azacycle - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Alcohol - Organonitrogen compound - Organooxygen compound - Amine - Organic oxide - Hydrocarbon derivative - 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