Compound Identification
SMILES
CN1CCN(CC1)[C@H]1CC2=C(SC3=CC=CC=C13)C=C(F)C=C2
InChIKey
InChIKey=PICQGXBCTSFNCV-KRWDZBQOSA-N
Formula
C19H21FN2S
Mass
328.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzothiepins
- Subclass Dibenzothiepins
-
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-methylpiperazines Aralkylamines Benzenoids Aryl fluorides Trialkylamines Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzothiepin - Diarylthioether - Aryl thioether - Aralkylamine - N-alkylpiperazine - N-methylpiperazine - Aryl fluoride - Aryl halide - 1,4-diazinane - Benzenoid - Piperazine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Thioether - Organopnictogen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - 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