Compound Identification
SMILES
[Cl-].CCCCC1(CCCC)CS(=O)(=O)C2=C(C=C(C=C2)N(C)C)[C@H]([C@H]1O)C1=CC(NC(=O)OCCC[N+]23CCN(CC2)CC3)=CC=C1
InChIKey
InChIKey=UJXQOLGKTACXGQ-YDXXJHAFSA-N
Formula
C36H55ClN4O5S
Mass
691.37
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiepins
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiepins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiepins
Alternative Parents
Phenylcarbamic acid esters Dialkylarylamines N-alkylpiperazines Tetraalkylammonium salts Sulfones Carbamate esters Trialkylamines Secondary alcohols Azacyclic compounds Organic zwitterions Organic oxides Organic chloride salts Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylcarbamic acid ester - Benzothiepin - Tertiary aliphatic/aromatic amine - Dialkylarylamine - N-alkylpiperazine - Piperazine - 1,4-diazinane - Benzenoid - Monocyclic benzene moiety - Quaternary ammonium salt - Sulfone - Carbamic acid ester - Tetraalkylammonium salt - Secondary alcohol - Tertiary aliphatic amine - Tertiary amine - Azacycle - Alcohol - Organic zwitterion - Organic salt - Organic chloride salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiepins. These are organic compounds containing a benzene fused to a thiepine ring (a seven-membered ring with six carbon atoms and one sulfur atom).
External Descriptors
Not available