N-[1-[cyano(methyl)amino]-3-[(4-nitrophenyl)methylsulfanyl]-1-oxidanylidene-propan-2-yl]benzamide

Systemtic Name: N-[1-[cyano(methyl)amino]-3-[(4-nitrophenyl)methylsulfanyl]-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: N-[2-[cyano(methyl)amino]-1-[(4-nitrophenyl)methylsulfanylmethyl]-2-oxo-ethyl]benzamide CAS Name: N-[1-[cyano(methyl)amino]-3-[(4-nitrophenyl)methylthio]-1-oxopropan-2-yl]benzamide IUPAC Name: N-[1-[cyano(methyl)amino]-3-[(4-nitrophenyl)methylsulfanyl]-1-oxopropan-2-yl]benzamide Traditional Name: N-[2-[cyano(methyl)amino]-2-keto-1-[[(4-nitrobenzyl)thio]methyl]ethyl]benzamide Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

CN(C#N)C(=O)C(CSCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2

Isomeric SMILES

CN(C#N)C(=O)C(CSCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H18N4O4S/c1-22(13-20)19(25)17(21-18(24)15-5-3-2-4-6-15)12-28-11-14-7-9-16(10-8-14)23(26)27/h2-10,17H,11-12H2,1H3,(H,21,24)