3-[[2-(1H-indol-2-yl)-1,3-dithian-2-yl]methyl]-1-(2-phenylmethoxyethyl)piperidin-2-one

Systemtic Name: 3-[[2-(1H-indol-2-yl)-1,3-dithian-2-yl]methyl]-1-(2-phenylmethoxyethyl)piperidin-2-one Openeye Name: 1-(2-benzyloxyethyl)-3-[[2-(1H-indol-2-yl)-1,3-dithian-2-yl]methyl]piperidin-2-one CAS Name: 3-[[2-(1H-indol-2-yl)-1,3-dithian-2-yl]methyl]-1-(2-phenylmethoxyethyl)-2-piperidinone IUPAC Name: 3-[[2-(1H-indol-2-yl)-1,3-dithian-2-yl]methyl]-1-(2-phenylmethoxyethyl)piperidin-2-one Traditional Name: 1-(2-benzoxyethyl)-3-[[2-(1H-indol-2-yl)-1,3-dithian-2-yl]methyl]-2-piperidone Formula: C27H32N2O2S2 MolecularWeight: 480.68518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)N(C1)CCOCC2=CC=CC=C2)CC3(SCCCS3)C4=CC5=CC=CC=C5N4

Isomeric SMILES

C1CC(C(=O)N(C1)CCOCC2=CC=CC=C2)CC3(SCCCS3)C4=CC5=CC=CC=C5N4

InChI

InChI=1S/C27H32N2O2S2/c30-26-23(11-6-13-29(26)14-15-31-20-21-8-2-1-3-9-21)19-27(32-16-7-17-33-27)25-18-22-10-4-5-12-24(22)28-25/h1-5,8-10,12,18,23,28H,6-7,11,13-17,19-20H2