4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]-N-[[7-methylsulfanyl-2-(4-oxidanylpiperidin-1-yl)quinolin-3-yl]methyl]benzamide

Systemtic Name: 4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]-N-[[7-methylsulfanyl-2-(4-oxidanylpiperidin-1-yl)quinolin-3-yl]methyl]benzamide Openeye Name: 4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]-N-[[2-(4-hydroxy-1-piperidyl)-7-methylsulfanyl-3-quinolyl]methyl]benzamide CAS Name: 4-acetamido-N-[2-(1-cyclohexenyl)ethyl]-N-[[2-(4-hydroxy-1-piperidinyl)-7-(methylthio)-3-quinolinyl]methyl]benzamide IUPAC Name: 4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]-N-[[2-(4-hydroxypiperidin-1-yl)-7-methylsulfanylquinolin-3-yl]methyl]benzamide Traditional Name: 4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]-N-[[2-(4-hydroxypiperidino)-7-(methylthio)-3-quinolyl]methyl]benzamide Formula: C33H40N4O3S MolecularWeight: 572.7607

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)N(CCC2=CCCCC2)CC3=C(N=C4C=C(C=CC4=C3)SC)N5CCC(CC5)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)N(CCC2=CCCCC2)CC3=C(N=C4C=C(C=CC4=C3)SC)N5CCC(CC5)O

InChI

InChI=1S/C33H40N4O3S/c1-23(38)34-28-11-8-25(9-12-28)33(40)37(17-14-24-6-4-3-5-7-24)22-27-20-26-10-13-30(41-2)21-31(26)35-32(27)36-18-15-29(39)16-19-36/h6,8-13,20-21,29,39H,3-5,7,14-19,22H2,1-2H3,(H,34,38)