Compound Identification
SMILES
CC(=O)NC1=CC=C(C=C1)C1CC(=NC2=CC=CC=C2S1)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=LDXXZAXLAYTZOS-UHFFFAOYSA-N
Formula
C23H19N3O3S
Mass
417.48
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
Acetanilides Nitrobenzenes N-acetylarylamines Nitroaromatic compounds Alkylarylthioethers Acetamides Secondary carboxylic acid amides Ketimines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic zwitterions Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - Acetanilide - N-acetylarylamine - Nitrobenzene - Anilide - Aryl thioether - Nitroaromatic compound - N-arylamide - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Acetamide - Carboxamide group - Ketimine - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Thioether - Allyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Organic oxoazanium - Carbonyl group - Organic oxide - Organic oxygen compound - Imine - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic zwitterion - 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