Compound Identification
SMILES
OCCN1CCN(CC1)C1CC2=C(SC3=C1C=C(C=C3)C(F)(F)F)C=C(F)C=C2
InChIKey
InChIKey=JRWBLUYTPUBWAF-UHFFFAOYSA-N
Formula
C21H22F4N2OS
Mass
426.47
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 N-alkylpiperazines Aralkylamines Benzenoids Aryl fluorides Trialkylamines 1,2-aminoalcohols Azacyclic compounds Primary alcohols Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzothiepin - Diarylthioether - Aryl thioether - N-alkylpiperazine - Aralkylamine - Aryl fluoride - Aryl halide - 1,4-diazinane - Piperazine - Benzenoid - Tertiary aliphatic amine - Tertiary amine - 1,2-aminoalcohol - Azacycle - Thioether - Alkanolamine - Organofluoride - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Alcohol - Primary alcohol - Amine - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Alkyl fluoride - 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