N-[[2-(dimethylamino)-7-methylsulfanyl-quinolin-3-yl]methyl]-N-(3-methoxypropyl)-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[2-(dimethylamino)-7-methylsulfanyl-quinolin-3-yl]methyl]-N-(3-methoxypropyl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[2-(dimethylamino)-7-methylsulfanyl-3-quinolyl]methyl]-N-(3-methoxypropyl)-1,3-benzodioxole-5-carboxamide CAS Name: N-[[2-(dimethylamino)-7-(methylthio)-3-quinolinyl]methyl]-N-(3-methoxypropyl)-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[2-(dimethylamino)-7-methylsulfanylquinolin-3-yl]methyl]-N-(3-methoxypropyl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[2-(dimethylamino)-7-(methylthio)-3-quinolyl]methyl]-N-(3-methoxypropyl)-piperonylamide Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C2C=CC(=CC2=N1)SC)CN(CCCOC)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN(C)C1=C(C=C2C=CC(=CC2=N1)SC)CN(CCCOC)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H29N3O4S/c1-27(2)24-19(12-17-6-8-20(33-4)14-21(17)26-24)15-28(10-5-11-30-3)25(29)18-7-9-22-23(13-18)32-16-31-22/h6-9,12-14H,5,10-11,15-16H2,1-4H3