2-(2-cyanophenyl)sulfanyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-yl-ethyl]benzamide

Systemtic Name: 2-(2-cyanophenyl)sulfanyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-yl-ethyl]benzamide Openeye Name: 2-(2-cyanophenyl)sulfanyl-N-[(2S)-2-(2-furyl)-2-(1-piperidyl)ethyl]benzamide CAS Name: 2-[(2-cyanophenyl)thio]-N-[(2S)-2-(2-furanyl)-2-(1-piperidinyl)ethyl]benzamide IUPAC Name: 2-(2-cyanophenyl)sulfanyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide Traditional Name: 2-[(2-cyanophenyl)thio]-N-[(2S)-2-(2-furyl)-2-piperidino-ethyl]benzamide Formula: C25H25N3O2S MolecularWeight: 431.5499

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(CNC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N)C4=CC=CO4

Isomeric SMILES

C1CCN(CC1)[C@@H](CNC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N)C4=CC=CO4

InChI

InChI=1S/C25H25N3O2S/c26-17-19-9-2-4-12-23(19)31-24-13-5-3-10-20(24)25(29)27-18-21(22-11-8-16-30-22)28-14-6-1-7-15-28/h2-5,8-13,16,21H,1,6-7,14-15,18H2,(H,27,29)/t21-/m0/s1