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

Systemtic Name: N-[1-(cyanomethylamino)-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]morpholine-4-carboxamide Openeye Name: N-[1-(benzylsulfanylmethyl)-2-(cyanomethylamino)-2-oxo-ethyl]morpholine-4-carboxamide CAS Name: N-[1-(cyanomethylamino)-1-oxo-3-(phenylmethylthio)propan-2-yl]-4-morpholinecarboxamide IUPAC Name: N-[3-benzylsulfanyl-1-(cyanomethylamino)-1-oxopropan-2-yl]morpholine-4-carboxamide Traditional Name: N-[1-[(benzylthio)methyl]-2-(cyanomethylamino)-2-keto-ethyl]morpholine-4-carboxamide Formula: C17H22N4O3S MolecularWeight: 362.44658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)NC(CSCC2=CC=CC=C2)C(=O)NCC#N

Isomeric SMILES

C1COCCN1C(=O)NC(CSCC2=CC=CC=C2)C(=O)NCC#N

InChI

InChI=1S/C17H22N4O3S/c18-6-7-19-16(22)15(13-25-12-14-4-2-1-3-5-14)20-17(23)21-8-10-24-11-9-21/h1-5,15H,7-13H2,(H,19,22)(H,20,23)