N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyphenyl)-N-[(7-methylsulfanyl-2-morpholin-4-yl-quinolin-3-yl)methyl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyphenyl)-N-[(7-methylsulfanyl-2-morpholin-4-yl-quinolin-3-yl)methyl]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyphenyl)-N-[(7-methylsulfanyl-2-morpholino-3-quinolyl)methyl]propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyphenyl)-N-[[7-(methylthio)-2-(4-morpholinyl)-3-quinolinyl]methyl]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyphenyl)-N-[(7-methylsulfanyl-2-morpholin-4-ylquinolin-3-yl)methyl]propanamide Traditional Name: 3-(2-methoxyphenyl)-N-[[7-(methylthio)-2-morpholino-3-quinolyl]methyl]-N-piperonyl-propionamide Formula: C33H35N3O5S MolecularWeight: 585.7131

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=C(N=C5C=C(C=CC5=C4)SC)N6CCOCC6

Isomeric SMILES

COC1=CC=CC=C1CCC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=C(N=C5C=C(C=CC5=C4)SC)N6CCOCC6

InChI

InChI=1S/C33H35N3O5S/c1-38-29-6-4-3-5-24(29)9-12-32(37)36(20-23-7-11-30-31(17-23)41-22-40-30)21-26-18-25-8-10-27(42-2)19-28(25)34-33(26)35-13-15-39-16-14-35/h3-8,10-11,17-19H,9,12-16,20-22H2,1-2H3