Compound Identification
SMILES
COC1=C(Cl)C=C2C(CC3=C(SC2=C1)C=C(F)C=C3)N1CCN(C)CC1
InChIKey
InChIKey=JIVOLQKBXVCPIZ-UHFFFAOYSA-N
Formula
C20H22ClFN2OS
Mass
392.92
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 Anisoles N-methylpiperazines Aralkylamines Alkyl aryl ethers Aryl fluorides Aryl chlorides Trialkylamines Azacyclic compounds Organofluorides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzothiepin - Diarylthioether - Aryl thioether - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - N-methylpiperazine - N-alkylpiperazine - Aryl chloride - Aryl fluoride - Aryl halide - 1,4-diazinane - Piperazine - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Ether - Azacycle - Thioether - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - 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