Compound Identification
SMILES
COC1=CC=CC=C1N1C(=O)C2=C(C(NC3=CC=CC=C3S2)C2=CC=CS2)C1=O
InChIKey
InChIKey=WIHCMPNWYGSEMQ-UHFFFAOYSA-N
Formula
C22H16N2O3S2
Mass
420.5
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
Phenylpyrrolines Methoxyanilines Anisoles Aryl thioethers Methoxybenzenes Phenoxy compounds Aralkylamines Secondary alkylarylamines Maleimides Alkyl aryl ethers N-substituted carboxylic acid imides Vinylogous thioesters Thiophenes Heteroaromatic compounds Dicarboximides Pyrroles Thioenol ethers Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - 1-phenylpyrroline - Methoxyaniline - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Maleimide - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Vinylogous thioester - Benzenoid - Carboxylic acid imide - Dicarboximide - Heteroaromatic compound - Thiophene - Pyrrole - Pyrroline - Amino acid or derivatives - Thioenolether - Ether - Carboxylic acid derivative - Azacycle - Secondary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - 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