Compound Identification
SMILES
CC(C)[NH+](CCNC(=O)C1=CC2=C(SC3=CC=CC=C3C(=O)N2CC2=CC=CC=C2F)C=C1)CC1=CC=CC=C1
InChIKey
InChIKey=OGXVQDSPARGRFT-UHFFFAOYSA-O
Formula
C33H33FN3O2S
Mass
554.7
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 Benzylamines Phenylmethylamines Aralkylamines Fluorobenzenes Vinylogous thioesters Aryl fluorides Quaternary ammonium salts Tertiary carboxylic acid amides Secondary carboxylic acid amides Lactams Amino acids and derivatives Trialkylamines Azacyclic compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzothiazepine - Diarylthioether - Benzylamine - Aryl thioether - Phenylmethylamine - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous thioester - Tertiary carboxylic acid amide - Quaternary ammonium salt - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Lactam - Azacycle - Thioether - Carboxylic acid derivative - Organooxygen compound - Amine - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organic cation - 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