(2S)-N-(phenylmethyl)-2-pyridin-3-yl-piperidine-1-carbothioamide

Systemtic Name: (2S)-N-(phenylmethyl)-2-pyridin-3-yl-piperidine-1-carbothioamide Openeye Name: (2S)-N-benzyl-2-(3-pyridyl)piperidine-1-carbothioamide CAS Name: (2S)-N-(phenylmethyl)-2-(3-pyridinyl)-1-piperidinecarbothioamide IUPAC Name: (2S)-N-benzyl-2-pyridin-3-ylpiperidine-1-carbothioamide Traditional Name: (2S)-N-benzyl-2-(3-pyridyl)piperidine-1-carbothioamide Formula: C18H21N3S MolecularWeight: 311.44444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=CN=CC=C2)C(=S)NCC3=CC=CC=C3

Isomeric SMILES

C1CCN([C@@H](C1)C2=CN=CC=C2)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C18H21N3S/c22-18(20-13-15-7-2-1-3-8-15)21-12-5-4-10-17(21)16-9-6-11-19-14-16/h1-3,6-9,11,14,17H,4-5,10,12-13H2,(H,20,22)/t17-/m0/s1