Compound Identification
SMILES
Cl.Cl.OCCCN1CCN(CC1)C1CC2=C(SC3=C1C=C(Cl)C=C3)C=C(O)C=C2
InChIKey
InChIKey=UFZGEDNSWMWABU-UHFFFAOYSA-N
Formula
C21H27Cl3N2O2S
Mass
477.87
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzothiepins
- Subclass Dibenzothiepins
-
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 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides 1,3-aminoalcohols Trialkylamines Azacyclic compounds Primary alcohols Organochlorides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzothiepin - Diarylthioether - Aryl thioether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - N-alkylpiperazine - Aralkylamine - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Benzenoid - 1,3-aminoalcohol - Tertiary amine - Tertiary aliphatic amine - Thioether - Azacycle - Alkanolamine - Hydrochloride - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organooxygen compound - Alcohol - Organic oxygen compound - Amine - Hydrocarbon derivative - Primary alcohol - 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