Compound Identification
SMILES
OCC[N+]1([O-])CCN(CC1)C1CC2=C(SC3=CC=CC=C13)C=CC(Cl)=C2
InChIKey
InChIKey=REJAVGZNSCVVHE-UHFFFAOYSA-N
Formula
C20H23ClN2O2S
Mass
390.93
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 N-alkylpiperazines Aryl chlorides Benzenoids Trialkyl amine oxides Trialkylamines Trisubstituted amine oxides and derivatives Alkanolamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzothiepin - Diarylthioether - Aryl thioether - N-alkylpiperazine - Aralkylamine - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Benzenoid - Trialkyl amine oxide - Tertiary aliphatic amine - Tertiary amine - Azacycle - Alkanolamine - Trisubstituted n-oxide - Thioether - N-oxide - Hydrocarbon derivative - Amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Primary alcohol - Alcohol - Organic oxide - Organic oxygen compound - Organic salt - Organic zwitterion - 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