Compound Identification
SMILES
CS(O)(=O)=O.COC1=CC=CC2=C1S(=O)C1=CC=CC=C1CC2N1CCN(C)CC1
InChIKey
InChIKey=STQDHYPEALXQGJ-UHFFFAOYSA-N
Formula
C21H28N2O5S2
Mass
452.58
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
Anisoles N-methylpiperazines Aralkylamines Alkyl aryl ethers Sulfonyls Organosulfonic acids Methanesulfonates Alkanesulfonic acids Trialkylamines Sulfoxides Sulfinyl compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Dibenzothiepin - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - N-alkylpiperazine - N-methylpiperazine - 1,4-diazinane - Benzenoid - Piperazine - Methanesulfonate - Alkanesulfonic acid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Sulfoxide - Tertiary amine - Tertiary aliphatic amine - Azacycle - Ether - Sulfinyl compound - Organic oxygen compound - Amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - 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