Compound Identification
SMILES
CS(O)(=O)=O.CS(O)(=O)=O.CN(C)S(=O)(=O)C1=CC2=C(SC3=CC=CC=C3CC2N2CCNCC2)C=C1
InChIKey
InChIKey=DTNTUYXPHPCRFI-UHFFFAOYSA-N
Formula
C22H33N3O8S4
Mass
595.76
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-alkylpiperazines Aralkylamines Organosulfonamides Benzenoids Organosulfonic acids Methanesulfonates Aminosulfonyl compounds Alkanesulfonic acids Trialkylamines Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Dibenzothiepin - Diarylthioether - Aryl thioether - Aralkylamine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Benzenoid - Organosulfonic acid amide - Methanesulfonate - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Alkanesulfonic acid - Aminosulfonyl compound - Organosulfonic acid - Sulfonyl - Tertiary aliphatic amine - Tertiary amine - Azacycle - Secondary amine - Secondary aliphatic amine - Thioether - Amine - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - 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