Compound Identification
SMILES
CC[NH+](CC)CCCNC(=O)C1=CC2=C(SC3=CC=CC=C3C(=O)N2CC2=C(C)C=CC(C)=C2)C=C1
InChIKey
InChIKey=CVUXCCLXVIELQQ-UHFFFAOYSA-O
Formula
C30H36N3O2S
Mass
502.7
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 p-Xylenes Vinylogous thioesters Tertiary carboxylic acid amides Quaternary ammonium salts Trialkylamines Secondary carboxylic acid amides Lactams Amino acids and derivatives Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzothiazepine - Diarylthioether - Aryl thioether - P-xylene - Xylene - Monocyclic benzene moiety - Vinylogous thioester - Benzenoid - Quaternary ammonium salt - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactam - Tertiary aliphatic amine - Secondary carboxylic acid amide - Tertiary amine - Carboxylic acid derivative - Azacycle - Thioether - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organooxygen 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