Compound Identification
SMILES
CC1(C)CCC(C)(C)C2=C1C=C1SC3=CC=CC=C3N=C(C3=CC=C(C=C3)C(O)=O)C1=C2
InChIKey
InChIKey=PFGCWQPTOKPRRK-UHFFFAOYSA-N
Formula
C28H27NO2S
Mass
441.59
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzothiazepines
- Subclass Dibenzothiazepines
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Class
Benzothiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiazepines
Subclass
Dibenzothiazepines
Intermediate Tree Nodes
Not available
Direct Parent
Dibenzothiazepines
Alternative Parents
Diarylthioethers Tetralins Benzoic acids Benzoyl derivatives Ketimines Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzothiazepine - Diarylthioether - Tetralin - Benzoic acid or derivatives - Benzoic acid - Aryl thioether - Benzoyl - Monocyclic benzene moiety - Benzenoid - Ketimine - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Thioether - Organic oxygen compound - Organic nitrogen compound - Imine - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dibenzothiazepines. These are compounds containing a dibenzothiazepine moiety, which consists of two benzene connected by a thiazepine ring.
External Descriptors
Not available