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

Systemtic Name: N-[(7-methylsulfanyl-2-pyrrolidin-1-yl-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(7-methylsulfanyl-2-pyrrolidin-1-yl-3-quinolyl)methyl]-N-(tetrahydrofuran-2-ylmethyl)-1,3-benzodioxole-5-carboxamide CAS Name: N-[[7-(methylthio)-2-(1-pyrrolidinyl)-3-quinolinyl]methyl]-N-(2-oxolanylmethyl)-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(7-methylsulfanyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[7-(methylthio)-2-pyrrolidino-3-quinolyl]methyl]-N-(tetrahydrofurfuryl)-piperonylamide Formula: C28H31N3O4S MolecularWeight: 505.62844

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)CN(CC3CCCO3)C(=O)C4=CC5=C(C=C4)OCO5)N6CCCC6

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)CN(CC3CCCO3)C(=O)C4=CC5=C(C=C4)OCO5)N6CCCC6

InChI

InChI=1S/C28H31N3O4S/c1-36-23-8-6-19-13-21(27(29-24(19)15-23)30-10-2-3-11-30)16-31(17-22-5-4-12-33-22)28(32)20-7-9-25-26(14-20)35-18-34-25/h6-9,13-15,22H,2-5,10-12,16-18H2,1H3