Compound Identification
SMILES
O.Br.CN1CCN(CC1)C1CC2=CC(O)=C(O)C=C2SC2=CC=CC=C12
InChIKey
InChIKey=TUUNPWKREPZNKI-UHFFFAOYSA-N
Formula
C19H25BrN2O3S
Mass
441.38
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-methylpiperazines Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Trialkylamines Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Hydrobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzothiepin - Diarylthioether - Aryl thioether - Phenol - N-methylpiperazine - N-alkylpiperazine - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Benzenoid - 1,4-diazinane - Piperazine - Tertiary aliphatic amine - Tertiary amine - Thioether - Azacycle - Organonitrogen compound - Organic nitrogen compound - Amine - Organooxygen compound - Hydrobromide - Hydrocarbon derivative - Organic oxide - Organic oxygen 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