2-phenylsulfanyl-1-(4-pyrrol-1-ylpiperidin-1-yl)ethanone

Systemtic Name: 2-phenylsulfanyl-1-(4-pyrrol-1-ylpiperidin-1-yl)ethanone Openeye Name: 2-phenylsulfanyl-1-(4-pyrrol-1-yl-1-piperidyl)ethanone CAS Name: 2-(phenylthio)-1-[4-(1-pyrrolyl)-1-piperidinyl]ethanone IUPAC Name: 2-phenylsulfanyl-1-(4-pyrrol-1-ylpiperidin-1-yl)ethanone Traditional Name: 2-(phenylthio)-1-(4-pyrrol-1-ylpiperidino)ethanone Formula: C17H20N2OS MolecularWeight: 300.4185

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C=CC=C2)C(=O)CSC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1N2C=CC=C2)C(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C17H20N2OS/c20-17(14-21-16-6-2-1-3-7-16)19-12-8-15(9-13-19)18-10-4-5-11-18/h1-7,10-11,15H,8-9,12-14H2