Compound Identification
SMILES
CCOC(=O)C1=CC2=C(SC3=CC=CC=C3C(=O)N2CC(=O)NCC2=CC=C(F)C=C2)C=C1
InChIKey
InChIKey=QTHOYLKNLMSLJO-UHFFFAOYSA-N
Formula
C25H21FN2O4S
Mass
464.51
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 Alpha amino acids and derivatives Fluorobenzenes Vinylogous thioesters Aryl fluorides Tertiary carboxylic acid amides Tertiary amines Secondary carboxylic acid amides Lactams Carboxylic acid esters Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzothiazepine - Diarylthioether - Alpha-amino acid or derivatives - Aryl thioether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Vinylogous thioester - Benzenoid - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Tertiary amine - Lactam - Secondary carboxylic acid amide - Thioether - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxide - 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