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

Systemtic Name: N-[1-(cyanomethylamino)-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]furan-2-carboxamide Openeye Name: N-[1-(benzylsulfanylmethyl)-2-(cyanomethylamino)-2-oxo-ethyl]furan-2-carboxamide CAS Name: N-[1-(cyanomethylamino)-1-oxo-3-(phenylmethylthio)propan-2-yl]-2-furancarboxamide IUPAC Name: N-[3-benzylsulfanyl-1-(cyanomethylamino)-1-oxopropan-2-yl]furan-2-carboxamide Traditional Name: N-[1-[(benzylthio)methyl]-2-(cyanomethylamino)-2-keto-ethyl]-2-furamide Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(C(=O)NCC#N)NC(=O)C2=CC=CO2

Isomeric SMILES

C1=CC=C(C=C1)CSCC(C(=O)NCC#N)NC(=O)C2=CC=CO2

InChI

InChI=1S/C17H17N3O3S/c18-8-9-19-16(21)14(20-17(22)15-7-4-10-23-15)12-24-11-13-5-2-1-3-6-13/h1-7,10,14H,9,11-12H2,(H,19,21)(H,20,22)