N-[1-(cyanomethylamino)-3-[(3-nitrophenyl)methylsulfanyl]-1-oxidanylidene-propan-2-yl]benzamide

Systemtic Name: N-[1-(cyanomethylamino)-3-[(3-nitrophenyl)methylsulfanyl]-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: N-[2-(cyanomethylamino)-1-[(3-nitrophenyl)methylsulfanylmethyl]-2-oxo-ethyl]benzamide CAS Name: N-[1-(cyanomethylamino)-3-[(3-nitrophenyl)methylthio]-1-oxopropan-2-yl]benzamide IUPAC Name: N-[1-(cyanomethylamino)-3-[(3-nitrophenyl)methylsulfanyl]-1-oxopropan-2-yl]benzamide Traditional Name: N-[2-(cyanomethylamino)-2-keto-1-[[(3-nitrobenzyl)thio]methyl]ethyl]benzamide Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CSCC2=CC(=CC=C2)[N+](=O)[O-])C(=O)NCC#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(CSCC2=CC(=CC=C2)[N+](=O)[O-])C(=O)NCC#N

InChI

InChI=1S/C19H18N4O4S/c20-9-10-21-19(25)17(22-18(24)15-6-2-1-3-7-15)13-28-12-14-5-4-8-16(11-14)23(26)27/h1-8,11,17H,10,12-13H2,(H,21,25)(H,22,24)