Compound Identification
SMILES
CCOC(=O)C1(CCN(CCC2(CC3=CC=CC=C3SC3=CC=CC=C23)C#N)CC1)C1=CC=CC=C1
InChIKey
InChIKey=CKNRTPRLKQQVAB-UHFFFAOYSA-N
Formula
C31H32N2O2S
Mass
496.67
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzothiepins
- Subclass Dibenzothiepins
-
Class
Benzothiepins
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiepins
Subclass
Dibenzothiepins
Intermediate Tree Nodes
Not available
Direct Parent
Dibenzothiepins
Alternative Parents
Phenylpiperidines Diarylthioethers Piperidinecarboxylic acids Aralkylamines Benzene and substituted derivatives Trialkylamines Carboxylic acid esters Amino acids and derivatives Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzothiepin - Phenylpiperidine - Diarylthioether - Piperidinecarboxylic acid - Aryl thioether - Aralkylamine - Monocyclic benzene moiety - Piperidine - Benzenoid - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Azacycle - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Thioether - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Cyanide - Carbonyl group - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dibenzothiepins. These are compounds containing a dibenzothiepin moiety, which consists of two benzene connected by a thiepine ring.
External Descriptors
Not available