Compound Identification
SMILES
ClC1=CC=CC(CN2C3=C(C=CC(=C3)C(=O)NCCC3=CC=CC=C3)S(=O)C3=CC=CC=C3C2=O)=C1
InChIKey
InChIKey=NMGVNOLUCMNPTA-UHFFFAOYSA-N
Formula
C29H23ClN2O3S
Mass
515.02
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
Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Sulfoxides Secondary carboxylic acid amides Lactams Sulfinyl compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzothiazepine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Sulfoxide - Secondary carboxylic acid amide - Carboxamide group - Lactam - Azacycle - Sulfinyl compound - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - 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