(2R)-2-(1H-perimidin-2-ylsulfanyl)-2-phenyl-1-piperidin-1-yl-ethanone

Systemtic Name: (2R)-2-(1H-perimidin-2-ylsulfanyl)-2-phenyl-1-piperidin-1-yl-ethanone Openeye Name: (2R)-2-(1H-perimidin-2-ylsulfanyl)-2-phenyl-1-(1-piperidyl)ethanone CAS Name: (2R)-2-(1H-perimidin-2-ylthio)-2-phenyl-1-(1-piperidinyl)ethanone IUPAC Name: (2R)-2-(1H-perimidin-2-ylsulfanyl)-2-phenyl-1-piperidin-1-ylethanone Traditional Name: (2R)-2-(1H-perimidin-2-ylthio)-2-phenyl-1-piperidino-ethanone Formula: C24H23N3OS MolecularWeight: 401.52392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)SC3=NC4=CC=CC5=C4C(=CC=C5)N3

Isomeric SMILES

C1CCN(CC1)C(=O)[C@@H](C2=CC=CC=C2)SC3=NC4=CC=CC5=C4C(=CC=C5)N3

InChI

InChI=1S/C24H23N3OS/c28-23(27-15-5-2-6-16-27)22(18-9-3-1-4-10-18)29-24-25-19-13-7-11-17-12-8-14-20(26-24)21(17)19/h1,3-4,7-14,22H,2,5-6,15-16H2,(H,25,26)/t22-/m1/s1