Compound Identification
SMILES
Cl.CN1CCN(CC1)C(=S)CC1=CC2=C(SCC3=CC=CC=C3C2)C=C1
InChIKey
InChIKey=OLPWDUUYUSQDCE-UHFFFAOYSA-N
Formula
C21H25ClN2S2
Mass
405.02
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
N-methylpiperazines Alkylarylthioethers Benzenoids Thioamides Trialkylamines Thiocarboxylic acid amides Azacyclic compounds Thiocarbonyl compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzothiepin - Aryl thioether - Alkylarylthioether - N-alkylpiperazine - N-methylpiperazine - 1,4-diazinane - Piperazine - Benzenoid - Thioamide - Tertiary amine - Tertiary aliphatic amine - Azacycle - Thiocarboxylic acid amide - Thioether - Hydrochloride - Amine - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organopnictogen compound - Thiocarbonyl group - Organic nitrogen 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