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

Systemtic Name: N-[1-(cyanomethylamino)-3-[(2-cyanophenyl)methylsulfanyl]-1-oxidanylidene-propan-2-yl]morpholine-4-carboxamide Openeye Name: N-[2-(cyanomethylamino)-1-[(2-cyanophenyl)methylsulfanylmethyl]-2-oxo-ethyl]morpholine-4-carboxamide CAS Name: N-[1-(cyanomethylamino)-3-[(2-cyanophenyl)methylthio]-1-oxopropan-2-yl]-4-morpholinecarboxamide IUPAC Name: N-[1-(cyanomethylamino)-3-[(2-cyanophenyl)methylsulfanyl]-1-oxopropan-2-yl]morpholine-4-carboxamide Traditional Name: N-[1-[[(2-cyanobenzyl)thio]methyl]-2-(cyanomethylamino)-2-keto-ethyl]morpholine-4-carboxamide Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)NC(CSCC2=CC=CC=C2C#N)C(=O)NCC#N

Isomeric SMILES

C1COCCN1C(=O)NC(CSCC2=CC=CC=C2C#N)C(=O)NCC#N

InChI

InChI=1S/C18H21N5O3S/c19-5-6-21-17(24)16(22-18(25)23-7-9-26-10-8-23)13-27-12-15-4-2-1-3-14(15)11-20/h1-4,16H,6-10,12-13H2,(H,21,24)(H,22,25)