Compound Identification
SMILES
CCC(O)CN1CCN(CC1)C1CC2=CC=CC=C2SC2=C1C=C(Cl)C=C2
InChIKey
InChIKey=XQGUVRJTKMRBNB-UHFFFAOYSA-N
Formula
C22H27ClN2OS
Mass
402.98
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 N-alkylpiperazines Aralkylamines Benzenoids Aryl chlorides Trialkylamines Secondary alcohols 1,2-aminoalcohols Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzothiepin - Diarylthioether - Aryl thioether - N-alkylpiperazine - Aralkylamine - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Benzenoid - Tertiary amine - Secondary alcohol - Tertiary aliphatic amine - 1,2-aminoalcohol - Thioether - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Amine - Alcohol - Organic oxygen compound - 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