1-(4-methylpiperidin-1-yl)-2-[3-(phenylmethylsulfanyl)indol-1-yl]ethanone

Systemtic Name: 1-(4-methylpiperidin-1-yl)-2-[3-(phenylmethylsulfanyl)indol-1-yl]ethanone Openeye Name: 2-(3-benzylsulfanylindol-1-yl)-1-(4-methyl-1-piperidyl)ethanone CAS Name: 1-(4-methyl-1-piperidinyl)-2-[3-(phenylmethylthio)-1-indolyl]ethanone IUPAC Name: 2-(3-benzylsulfanylindol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone Traditional Name: 2-[3-(benzylthio)indol-1-yl]-1-(4-methylpiperidino)ethanone Formula: C23H26N2OS MolecularWeight: 378.53034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)SCC4=CC=CC=C4

Isomeric SMILES

CC1CCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)SCC4=CC=CC=C4

InChI

InChI=1S/C23H26N2OS/c1-18-11-13-24(14-12-18)23(26)16-25-15-22(20-9-5-6-10-21(20)25)27-17-19-7-3-2-4-8-19/h2-10,15,18H,11-14,16-17H2,1H3