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

Systemtic Name: N-[(2R)-1-(cyanomethylamino)-1-oxidanylidene-4-pyridin-4-ylsulfanyl-butan-2-yl]benzamide Openeye Name: N-[(1R)-1-(cyanomethylcarbamoyl)-3-(4-pyridylsulfanyl)propyl]benzamide CAS Name: N-[(2R)-1-(cyanomethylamino)-1-oxo-4-(pyridin-4-ylthio)butan-2-yl]benzamide IUPAC Name: N-[(2R)-1-(cyanomethylamino)-1-oxo-4-pyridin-4-ylsulfanylbutan-2-yl]benzamide Traditional Name: N-[(1R)-1-(cyanomethylcarbamoyl)-3-(4-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=NC=C2)C(=O)NCC#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N[C@H](CCSC2=CC=NC=C2)C(=O)NCC#N

InChI

InChI=1S/C18H18N4O2S/c19-9-12-21-18(24)16(8-13-25-15-6-10-20-11-7-15)22-17(23)14-4-2-1-3-5-14/h1-7,10-11,16H,8,12-13H2,(H,21,24)(H,22,23)/t16-/m1/s1