Compound Identification
SMILES
CCOC(=O)N1CCN(CC1)C1CC2=C(SC3=C1C=C(F)C=C3)C=CC(C)=C2
InChIKey
InChIKey=GDGCPXBBMATJQC-UHFFFAOYSA-N
Formula
C22H25FN2O2S
Mass
400.51
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 Piperazine carboxylic acids N-alkylpiperazines Aralkylamines Benzenoids Aryl fluorides Carbamate esters Trialkylamines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzothiepin - Diarylthioether - Piperazine-1-carboxylic acid - Aryl thioether - N-alkylpiperazine - Aralkylamine - Aryl fluoride - Aryl halide - 1,4-diazinane - Piperazine - Benzenoid - Carbamic acid ester - Tertiary aliphatic amine - Tertiary amine - Thioether - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Amine - 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