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

Systemtic Name: N-[1-(cyanomethylamino)-3-[(2-nitrophenyl)methylsulfanyl]-1-oxidanylidene-propan-2-yl]morpholine-4-carboxamide Openeye Name: N-[2-(cyanomethylamino)-1-[(2-nitrophenyl)methylsulfanylmethyl]-2-oxo-ethyl]morpholine-4-carboxamide CAS Name: N-[1-(cyanomethylamino)-3-[(2-nitrophenyl)methylthio]-1-oxopropan-2-yl]-4-morpholinecarboxamide IUPAC Name: N-[1-(cyanomethylamino)-3-[(2-nitrophenyl)methylsulfanyl]-1-oxopropan-2-yl]morpholine-4-carboxamide Traditional Name: N-[2-(cyanomethylamino)-2-keto-1-[[(2-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/c18-5-6-19-16(23)14(20-17(24)21-7-9-27-10-8-21)12-28-11-13-3-1-2-4-15(13)22(25)26/h1-4,14H,6-12H2,(H,19,23)(H,20,24)