Compound Identification
SMILES
OC(=O)C([O-])=O.CN(C)CCCC1C(C#N)C2=CC=CC=C2SC2=CC=CC=C12
InChIKey
InChIKey=YNWDETZEXVPRAI-UHFFFAOYSA-M
Formula
C22H23N2O4S
Mass
411.5
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
Diarylthioethers Aralkylamines Dicarboxylic acids and derivatives Benzenoids Trialkylamines Nitriles Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic anions
Molecular Framework
Not available
Substituents
Dibenzothiepin - Diarylthioether - Aryl thioether - Aralkylamine - Dicarboxylic acid or derivatives - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Carboxylic acid - Carbonitrile - Nitrile - Thioether - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - 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