Compound Identification
SMILES
ClC1=CC=CC(CN2C3=C(C=CC(=C3)C(=O)N3CCN(CC3)C3CCCCC3)S(=O)C3=CC=CC=C3C2=O)=C1
InChIKey
InChIKey=PGUPRMQSYMLRLL-UHFFFAOYSA-N
Formula
C31H32ClN3O3S
Mass
562.13
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
N-alkylpiperazines Cyclohexylamines Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Trialkylamines Sulfoxides Lactams Amino acids and derivatives Sulfinyl compounds Azacyclic compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzothiazepine - Halobenzene - N-alkylpiperazine - Chlorobenzene - Cyclohexylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - 1,4-diazinane - Piperazine - Tertiary carboxylic acid amide - Sulfoxide - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Amino acid or derivatives - Lactam - Azacycle - Carboxylic acid derivative - Sulfinyl compound - Organooxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organochloride - Organohalogen 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