2-[4-[[2-cyclohexylethyl(methyl)amino]methyl]-2-(2-methylphenyl)phenyl]carbonyloxypentanethioate

Systemtic Name: 2-[4-[[2-cyclohexylethyl(methyl)amino]methyl]-2-(2-methylphenyl)phenyl]carbonyloxypentanethioate Openeye Name: 2-[4-[[2-cyclohexylethyl(methyl)amino]methyl]-2-(o-tolyl)benzoyl]oxypentanethioate CAS Name: 2-[[4-[[2-cyclohexylethyl(methyl)amino]methyl]-2-(2-methylphenyl)phenyl]-oxomethoxy]pentanethioate IUPAC Name: 2-[4-[[2-cyclohexylethyl(methyl)amino]methyl]-2-(2-methylphenyl)benzoyl]oxypentanethioate Traditional Name: 2-[4-[[2-cyclohexylethyl(methyl)amino]methyl]-2-(o-tolyl)benzoyl]oxythiovalerate Formula: C29H38NO3S- MolecularWeight: 480.68192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=S)[O-])OC(=O)C1=C(C=C(C=C1)CN(C)CCC2CCCCC2)C3=CC=CC=C3C

Isomeric SMILES

CCCC(C(=S)[O-])OC(=O)C1=C(C=C(C=C1)CN(C)CCC2CCCCC2)C3=CC=CC=C3C

InChI

InChI=1S/C29H39NO3S/c1-4-10-27(29(32)34)33-28(31)25-16-15-23(19-26(25)24-14-9-8-11-21(24)2)20-30(3)18-17-22-12-6-5-7-13-22/h8-9,11,14-16,19,22,27H,4-7,10,12-13,17-18,20H2,1-3H3,(H,32,34)/p-1