Compound Identification
SMILES
O=C1NCN(C2=CC=CC=C2)C11CCC(CCCC2(CC3=CC=CC=C3SC3=CC=CC=C23)C#N)CC1
InChIKey
InChIKey=JLFGYDULKOUBGK-UHFFFAOYSA-N
Formula
C32H33N3OS
Mass
507.7
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Benzothiepins
- Subclass Dibenzothiepins
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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
Phenylimidazolidines Diarylthioethers Alpha amino acids and derivatives Dialkylarylamines Aniline and substituted anilines Imidazolidinones Secondary carboxylic acid amides Lactams Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzothiepin - Phenylimidazolidine - Diarylthioether - Alpha-amino acid or derivatives - Aryl thioether - Dialkylarylamine - Aniline or substituted anilines - Monocyclic benzene moiety - Imidazolidinone - Benzenoid - Imidazolidine - Carboxamide group - Lactam - Secondary carboxylic acid amide - Nitrile - Carbonitrile - Carboxylic acid derivative - Azacycle - Thioether - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Cyanide - Amine - Organic nitrogen compound - Organic oxide - Carbonyl group - 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