Compound Identification
SMILES
COC1=CC=C(C=C1)C1=NC2=CC=CC=C2SC(C1)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=GUYJCADKHSQJAH-UHFFFAOYSA-N
Formula
C22H18N2O3S
Mass
390.46
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
Nitrobenzenes Phenoxy compounds Nitroaromatic compounds Methoxybenzenes Anisoles Alkylarylthioethers Alkyl aryl ethers Ketimines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - Nitrobenzene - Phenoxy compound - Aryl thioether - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Ketimine - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Thioether - Allyl-type 1,3-dipolar organic compound - Ether - Azacycle - Organic oxoazanium - Organic salt - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Imine - Organooxygen compound - Hydrocarbon derivative - Organic cation - 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