Compound Identification
SMILES
O.[O-]C(=O)C([O-])=O.CN(C)CCC1(C#N)C2=CC=CC=C2CSC2=CC=CC=C12
InChIKey
InChIKey=JPAZTFHHLXIVOA-UHFFFAOYSA-L
Formula
C21H22N2O5S
Mass
414.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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
Aralkylamines Alkylarylthioethers Dicarboxylic acids and derivatives Benzenoids Trialkylamines Carboxylic acid salts Nitriles Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic anions
Molecular Framework
Not available
Substituents
Dibenzothiepin - Aryl thioether - Alkylarylthioether - Aralkylamine - Dicarboxylic acid or derivatives - Benzenoid - Carboxylic acid salt - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Carbonitrile - Thioether - Nitrile - Organic oxygen compound - Cyanide - Organonitrogen compound - Organooxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic anion - 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