Compound Identification
SMILES
CC(C)[NH+](CCNC(=O)C1=CC2=C(SC3=C(C=C(Cl)C=C3)C(=C)N2)C=C1)CC1=CC=CC=C1
InChIKey
InChIKey=HHTBDGICXSLBHL-UHFFFAOYSA-O
Formula
C27H29ClN3OS
Mass
479.06
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 Secondary alkylarylamines Aryl chlorides Quaternary ammonium salts Trialkylamines Amino acids and derivatives Secondary carboxylic acid amides Enamines Azacyclic compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzothiazepine - Diarylthioether - Aryl thioether - Benzylamine - Phenylmethylamine - Aralkylamine - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Quaternary ammonium salt - Tertiary amine - Secondary carboxylic acid amide - Tertiary aliphatic amine - Amino acid or derivatives - Carboxamide group - Secondary amine - Thioether - Carboxylic acid derivative - Azacycle - Enamine - Amine - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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