N-[(2R)-1-(cyanomethylamino)-1-oxidanylidene-4-pyridin-2-ylsulfanyl-butan-2-yl]benzamide

Systemtic Name: N-[(2R)-1-(cyanomethylamino)-1-oxidanylidene-4-pyridin-2-ylsulfanyl-butan-2-yl]benzamide Openeye Name: N-[(1R)-1-(cyanomethylcarbamoyl)-3-(2-pyridylsulfanyl)propyl]benzamide CAS Name: N-[(2R)-1-(cyanomethylamino)-1-oxo-4-(2-pyridinylthio)butan-2-yl]benzamide IUPAC Name: N-[(2R)-1-(cyanomethylamino)-1-oxo-4-pyridin-2-ylsulfanylbutan-2-yl]benzamide Traditional Name: N-[(1R)-1-(cyanomethylcarbamoyl)-3-(2-pyridylthio)propyl]benzamide Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CCSC2=CC=CC=N2)C(=O)NCC#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N[C@H](CCSC2=CC=CC=N2)C(=O)NCC#N

InChI

InChI=1S/C18H18N4O2S/c19-10-12-21-18(24)15(9-13-25-16-8-4-5-11-20-16)22-17(23)14-6-2-1-3-7-14/h1-8,11,15H,9,12-13H2,(H,21,24)(H,22,23)/t15-/m1/s1