Compound Identification
SMILES
FC1=CC2=C(CC(N3CCN(CCC4OCCO4)CC3)C3=C(S2)C=CC(Cl)=C3)C=C1
InChIKey
InChIKey=XAOSMLYRVKLQID-UHFFFAOYSA-N
Formula
C23H26ClFN2O2S
Mass
448.98
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzothiepins
- Subclass Dibenzothiepins
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Class
Benzothiepins
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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 Aryl chlorides 1,3-dioxolanes Trialkylamines Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Organofluorides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzothiepin - Diarylthioether - Aryl thioether - N-alkylpiperazine - Aralkylamine - Aryl chloride - Aryl fluoride - Aryl halide - 1,4-diazinane - Piperazine - Benzenoid - Meta-dioxolane - Tertiary aliphatic amine - Tertiary amine - Thioether - Oxacycle - Azacycle - Acetal - Organooxygen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Organofluoride - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen 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