Compound Identification
SMILES
CC1=CC=C(C=C1)C1CC(=NC2=CC=CC=C2S1)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=UKAMSRDHYLNTCB-UHFFFAOYSA-N
Formula
C22H18N2O2S
Mass
374.46
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 Nitroaromatic compounds Toluenes Alkylarylthioethers Ketimines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Toluene - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Ketimine - C-nitro compound - Organic nitro compound - Organic oxoazanium - Thioether - Azacycle - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Imine - Organopnictogen 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