5-[(4-methylsulfanylphenyl)methoxy]-2-[(4-tetradecanoylpiperazin-1-yl)methyl]pyran-4-one

Systemtic Name: 5-[(4-methylsulfanylphenyl)methoxy]-2-[(4-tetradecanoylpiperazin-1-yl)methyl]pyran-4-one Openeye Name: 5-[(4-methylsulfanylphenyl)methoxy]-2-[(4-tetradecanoylpiperazin-1-yl)methyl]pyran-4-one CAS Name: 5-[[4-(methylthio)phenyl]methoxy]-2-[[4-(1-oxotetradecyl)-1-piperazinyl]methyl]-4-pyranone IUPAC Name: 5-[(4-methylsulfanylphenyl)methoxy]-2-[(4-tetradecanoylpiperazin-1-yl)methyl]pyran-4-one Traditional Name: 5-[4-(methylthio)benzyl]oxy-2-[(4-tetradecanoylpiperazino)methyl]pyran-4-one Formula: C32H48N2O4S MolecularWeight: 556.79952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)N1CCN(CC1)CC2=CC(=O)C(=CO2)OCC3=CC=C(C=C3)SC

Isomeric SMILES

CCCCCCCCCCCCCC(=O)N1CCN(CC1)CC2=CC(=O)C(=CO2)OCC3=CC=C(C=C3)SC

InChI

InChI=1S/C32H48N2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-32(36)34-21-19-33(20-22-34)24-28-23-30(35)31(26-37-28)38-25-27-15-17-29(39-2)18-16-27/h15-18,23,26H,3-14,19-22,24-25H2,1-2H3