Compound Identification
SMILES
CCSC1=CC2=C(SC3=C(CC2N2CCN(C)CC2)C=CC(F)=C3)C=C1
InChIKey
InChIKey=SPTSTXDKTQWLNQ-UHFFFAOYSA-N
Formula
C21H25FN2S2
Mass
388.56
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 Thiophenol ethers N-methylpiperazines Aralkylamines Alkylarylthioethers Aryl fluorides Trialkylamines Sulfenyl compounds Azacyclic compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzothiepin - Diarylthioether - Aryl thioether - Thiophenol ether - Aralkylamine - Alkylarylthioether - N-alkylpiperazine - N-methylpiperazine - Aryl fluoride - Aryl halide - 1,4-diazinane - Benzenoid - Piperazine - Tertiary aliphatic amine - Tertiary amine - Sulfenyl compound - Azacycle - Thioether - Amine - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - 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