2-[[1-(2-cyanopyrrolidin-1-yl)-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: 2-[[1-(2-cyanopyrrolidin-1-yl)-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxo-1-(sulfanylmethyl)ethyl]amino]-N-(3-pyridylmethyl)acetamide CAS Name: 2-[[1-(2-cyano-1-pyrrolidinyl)-3-mercapto-1-oxopropan-2-yl]amino]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[[1-(2-cyanopyrrolidin-1-yl)-1-oxo-3-sulfanylpropan-2-yl]amino]-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[[2-(2-cyanopyrrolidino)-2-keto-1-(mercaptomethyl)ethyl]amino]-N-(3-pyridylmethyl)acetamide Formula: C16H21N5O2S MolecularWeight: 347.43524

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CS)NCC(=O)NCC2=CN=CC=C2)C#N

Isomeric SMILES

C1CC(N(C1)C(=O)C(CS)NCC(=O)NCC2=CN=CC=C2)C#N

InChI

InChI=1S/C16H21N5O2S/c17-7-13-4-2-6-21(13)16(23)14(11-24)19-10-15(22)20-9-12-3-1-5-18-8-12/h1,3,5,8,13-14,19,24H,2,4,6,9-11H2,(H,20,22)