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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-[(7-methylsulfanyl-2-morpholin-4-yl-quinolin-3-yl)methyl]propanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-[(7-methylsulfanyl-2-morpholino-3-quinolyl)methyl]propanamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-[[7-(methylthio)-2-(4-morpholinyl)-3-quinolinyl]methyl]propanamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-[(7-methylsulfanyl-2-morpholin-4-ylquinolin-3-yl)methyl]propanamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-[[7-(methylthio)-2-morpholino-3-quinolyl]methyl]propionamide Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(CC1COC2=CC=CC=C2O1)CC3=C(N=C4C=C(C=CC4=C3)SC)N5CCOCC5

Isomeric SMILES

CCC(=O)N(CC1COC2=CC=CC=C2O1)CC3=C(N=C4C=C(C=CC4=C3)SC)N5CCOCC5

InChI

InChI=1S/C27H31N3O4S/c1-3-26(31)30(17-21-18-33-24-6-4-5-7-25(24)34-21)16-20-14-19-8-9-22(35-2)15-23(19)28-27(20)29-10-12-32-13-11-29/h4-9,14-15,21H,3,10-13,16-18H2,1-2H3