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

Systemtic Name: N-[[2-(dimethylamino)-7-methylsulfanyl-quinolin-3-yl]methyl]-N-(furan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[2-(dimethylamino)-7-methylsulfanyl-3-quinolyl]methyl]-N-(2-furylmethyl)-1,3-benzodioxole-5-carboxamide CAS Name: N-[[2-(dimethylamino)-7-(methylthio)-3-quinolinyl]methyl]-N-(2-furanylmethyl)-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[2-(dimethylamino)-7-methylsulfanylquinolin-3-yl]methyl]-N-(furan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[2-(dimethylamino)-7-(methylthio)-3-quinolyl]methyl]-N-(2-furfuryl)-piperonylamide Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C2C=CC(=CC2=N1)SC)CN(CC3=CC=CO3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN(C)C1=C(C=C2C=CC(=CC2=N1)SC)CN(CC3=CC=CO3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H25N3O4S/c1-28(2)25-19(11-17-6-8-21(34-3)13-22(17)27-25)14-29(15-20-5-4-10-31-20)26(30)18-7-9-23-24(12-18)33-16-32-23/h4-13H,14-16H2,1-3H3