N-[(2R)-1-(cyanomethylamino)-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]-4-(furan-2-ylcarbonyl)piperazine-1-carboxamide

Systemtic Name: N-[(2R)-1-(cyanomethylamino)-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]-4-(furan-2-ylcarbonyl)piperazine-1-carboxamide Openeye Name: N-[(1R)-1-(benzylsulfanylmethyl)-2-(cyanomethylamino)-2-oxo-ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide CAS Name: N-[(2R)-1-(cyanomethylamino)-1-oxo-3-(phenylmethylthio)propan-2-yl]-4-[2-furanyl(oxo)methyl]-1-piperazinecarboxamide IUPAC Name: N-[(2R)-3-benzylsulfanyl-1-(cyanomethylamino)-1-oxopropan-2-yl]-4-(furan-2-carbonyl)piperazine-1-carboxamide Traditional Name: N-[(1R)-1-[(benzylthio)methyl]-2-(cyanomethylamino)-2-keto-ethyl]-4-(2-furoyl)piperazine-1-carboxamide Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CO2)C(=O)NC(CSCC3=CC=CC=C3)C(=O)NCC#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CO2)C(=O)N[C@@H](CSCC3=CC=CC=C3)C(=O)NCC#N

InChI

InChI=1S/C22H25N5O4S/c23-8-9-24-20(28)18(16-32-15-17-5-2-1-3-6-17)25-22(30)27-12-10-26(11-13-27)21(29)19-7-4-14-31-19/h1-7,14,18H,9-13,15-16H2,(H,24,28)(H,25,30)/t18-/m0/s1