N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-[(7-methylsulfanyl-2-morpholin-4-yl-quinolin-3-yl)methyl]furan-3-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-[(7-methylsulfanyl-2-morpholin-4-yl-quinolin-3-yl)methyl]furan-3-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-[(7-methylsulfanyl-2-morpholino-3-quinolyl)methyl]furan-3-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-[[7-(methylthio)-2-(4-morpholinyl)-3-quinolinyl]methyl]-3-furancarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-[(7-methylsulfanyl-2-morpholin-4-ylquinolin-3-yl)methyl]furan-3-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-[[7-(methylthio)-2-morpholino-3-quinolyl]methyl]-3-furamide Formula: C29H29N3O5S MolecularWeight: 531.62266

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)CN(CC3COC4=CC=CC=C4O3)C(=O)C5=COC=C5)N6CCOCC6

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)CN(CC3COC4=CC=CC=C4O3)C(=O)C5=COC=C5)N6CCOCC6

InChI

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