Compound Identification
SMILES
[O-][N+](=O)C1=CC(C2CC(=NC3=CC=CC=C3S2)C2=CC=CC3=CC=CC=C23)=C(Cl)C=C1
InChIKey
InChIKey=RFDIQYMVHMNYQP-UHFFFAOYSA-N
Formula
C25H17ClN2O2S
Mass
444.93
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
Naphthalenes Nitrobenzenes Nitroaromatic compounds Chlorobenzenes Alkylarylthioethers Aryl chlorides Ketimines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - Naphthalene - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Halobenzene - Alkylarylthioether - Chlorobenzene - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Organic nitro compound - C-nitro compound - Ketimine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Thioether - Organic oxoazanium - Azacycle - Organic nitrogen compound - Organohalogen compound - Organochloride - Imine - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - 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