N-[(2R)-1-(cyanomethylamino)-1-oxidanylidene-3-(pyridin-3-ylmethylsulfanyl)propan-2-yl]benzamide

Systemtic Name: N-[(2R)-1-(cyanomethylamino)-1-oxidanylidene-3-(pyridin-3-ylmethylsulfanyl)propan-2-yl]benzamide Openeye Name: N-[(1R)-2-(cyanomethylamino)-2-oxo-1-(3-pyridylmethylsulfanylmethyl)ethyl]benzamide CAS Name: N-[(2R)-1-(cyanomethylamino)-1-oxo-3-(3-pyridinylmethylthio)propan-2-yl]benzamide IUPAC Name: N-[(2R)-1-(cyanomethylamino)-1-oxo-3-(pyridin-3-ylmethylsulfanyl)propan-2-yl]benzamide Traditional Name: N-[(1R)-2-(cyanomethylamino)-2-keto-1-[(3-pyridylmethylthio)methyl]ethyl]benzamide Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CSCC2=CN=CC=C2)C(=O)NCC#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N[C@@H](CSCC2=CN=CC=C2)C(=O)NCC#N

InChI

InChI=1S/C18H18N4O2S/c19-8-10-21-18(24)16(13-25-12-14-5-4-9-20-11-14)22-17(23)15-6-2-1-3-7-15/h1-7,9,11,16H,10,12-13H2,(H,21,24)(H,22,23)/t16-/m0/s1