N-[1-(cyanomethylamino)-3-[(3-nitrophenyl)methylsulfanyl]-1-oxidanylidene-propan-2-yl]morpholine-4-carboxamide

Systemtic Name: N-[1-(cyanomethylamino)-3-[(3-nitrophenyl)methylsulfanyl]-1-oxidanylidene-propan-2-yl]morpholine-4-carboxamide Openeye Name: N-[2-(cyanomethylamino)-1-[(3-nitrophenyl)methylsulfanylmethyl]-2-oxo-ethyl]morpholine-4-carboxamide CAS Name: N-[1-(cyanomethylamino)-3-[(3-nitrophenyl)methylthio]-1-oxopropan-2-yl]-4-morpholinecarboxamide IUPAC Name: N-[1-(cyanomethylamino)-3-[(3-nitrophenyl)methylsulfanyl]-1-oxopropan-2-yl]morpholine-4-carboxamide Traditional Name: N-[2-(cyanomethylamino)-2-keto-1-[[(3-nitrobenzyl)thio]methyl]ethyl]morpholine-4-carboxamide Formula: C17H21N5O5S MolecularWeight: 407.44414

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)NC(CSCC2=CC(=CC=C2)[N+](=O)[O-])C(=O)NCC#N

Isomeric SMILES

C1COCCN1C(=O)NC(CSCC2=CC(=CC=C2)[N+](=O)[O-])C(=O)NCC#N

InChI

InChI=1S/C17H21N5O5S/c18-4-5-19-16(23)15(20-17(24)21-6-8-27-9-7-21)12-28-11-13-2-1-3-14(10-13)22(25)26/h1-3,10,15H,5-9,11-12H2,(H,19,23)(H,20,24)