Compound Identification
SMILES
COC1=CC2=C(C=C1)C=C(N1CCN(C)CC1)C1=CC(Cl)=C(OC)C=C1S2
InChIKey
InChIKey=GTAHEOZCZCWTPF-UHFFFAOYSA-N
Formula
C21H23ClN2O2S
Mass
402.94
Taxonomic Classification
Taxonomy Tree
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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 Anisoles N-methylpiperazines Alkyl aryl ethers Aryl chlorides Trialkylamines Enamines Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzothiepin - Diarylthioether - Anisole - Phenol ether - Aryl thioether - Alkyl aryl ether - N-alkylpiperazine - N-methylpiperazine - Benzenoid - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Tertiary aliphatic amine - Tertiary amine - Ether - Enamine - Thioether - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Amine - 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