Compound Identification
SMILES
CN1CCN(CCSC2CC3=CC=CC=C3SC3=C2C=C(Cl)C=C3)CC1
InChIKey
InChIKey=GDSQINQVSUGNMX-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
Diarylthioethers N-methylpiperazines Benzenoids Aryl chlorides Trialkylamines Sulfenyl compounds Dialkylthioethers Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzothiepin - Diarylthioether - Aryl thioether - N-alkylpiperazine - N-methylpiperazine - Aryl chloride - Aryl halide - 1,4-diazinane - Benzenoid - Piperazine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Dialkylthioether - Sulfenyl compound - Thioether - Organochloride - Organohalogen compound - Amine - Organonitrogen compound - Organosulfur compound - Organic nitrogen 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