Compound Identification
SMILES
ClC1=CC=CC(CN2C3=C(C=CC(=C3)C(=O)NCCC[NH+]3CCCC3)S(=O)(=O)C3=CC=CC=C3C2=O)=C1
InChIKey
InChIKey=YLMYHBPVUOCIDM-UHFFFAOYSA-O
Formula
C28H29ClN3O4S
Mass
539.07
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 N-alkylpyrrolidines Tertiary carboxylic acid amides Sulfones Quaternary ammonium salts Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Lactams Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organochlorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzothiazepine - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Pyrrolidine - Tertiary carboxylic acid amide - Quaternary ammonium salt - Sulfone - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Amino acid or derivatives - Lactam - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organohalogen 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