N-(furan-2-ylmethyl)-N-[[7-methylsulfanyl-2-(4-oxidanylpiperidin-1-yl)quinolin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-(furan-2-ylmethyl)-N-[[7-methylsulfanyl-2-(4-oxidanylpiperidin-1-yl)quinolin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-(2-furylmethyl)-N-[[2-(4-hydroxy-1-piperidyl)-7-methylsulfanyl-3-quinolyl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-(2-furanylmethyl)-N-[[2-(4-hydroxy-1-piperidinyl)-7-(methylthio)-3-quinolinyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(furan-2-ylmethyl)-N-[[2-(4-hydroxypiperidin-1-yl)-7-methylsulfanylquinolin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-(2-furfuryl)-N-[[2-(4-hydroxypiperidino)-7-(methylthio)-3-quinolyl]methyl]-piperonylamide Formula: C29H29N3O5S MolecularWeight: 531.62266

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)CN(CC3=CC=CO3)C(=O)C4=CC5=C(C=C4)OCO5)N6CCC(CC6)O

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)CN(CC3=CC=CO3)C(=O)C4=CC5=C(C=C4)OCO5)N6CCC(CC6)O

InChI

InChI=1S/C29H29N3O5S/c1-38-24-6-4-19-13-21(28(30-25(19)15-24)31-10-8-22(33)9-11-31)16-32(17-23-3-2-12-35-23)29(34)20-5-7-26-27(14-20)37-18-36-26/h2-7,12-15,22,33H,8-11,16-18H2,1H3