Compound Identification
SMILES
FC1=CC2=C(C=C1)C(CCCN1CCC3C(CC1)C1=C4N3CCCSC4=CC=C1)=NO2
InChIKey
InChIKey=PBTMSWKFFIGBEJ-UHFFFAOYSA-N
Formula
C25H28FN3OS
Mass
437.58
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
Indoles and derivatives Benzisoxazoles Dialkylarylamines Alkylarylthioethers Aralkylamines Azepanes Aryl fluorides Benzenoids Isoxazoles Heteroaromatic compounds Trialkylamines Azacyclic compounds Oxacyclic compounds Organofluorides Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - Benzisoxazole - Indole or derivatives - Aryl thioether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aralkylamine - Alkylarylthioether - Azepane - Aryl fluoride - Benzenoid - Aryl halide - Heteroaromatic compound - Azole - Isoxazole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Oxacycle - Thioether - Organic oxygen compound - Amine - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organohalogen compound - Organofluoride - 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