Compound Identification
SMILES
CC(C)C1=CC2=C(SC3=C(CC2N2CCN(CCO)CC2)C=C(Cl)C=C3)C=C1
InChIKey
InChIKey=ODTKFNFIMIEJMX-UHFFFAOYSA-N
Formula
C23H29ClN2OS
Mass
417.01
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 Cumenes N-alkylpiperazines Aralkylamines Aryl chlorides Trialkylamines 1,2-aminoalcohols Azacyclic compounds Primary alcohols Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzothiepin - Diarylthioether - Cumene - Aryl thioether - Aralkylamine - N-alkylpiperazine - Aryl chloride - Aryl halide - Benzenoid - 1,4-diazinane - Piperazine - 1,2-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Azacycle - Thioether - Alkanolamine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Amine - 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