N-[4-methylsulfanyl-1-[[2-(4-nitrophenyl)-2-oxidanyl-ethyl]amino]-1-oxidanylidene-butan-2-yl]furan-2-carboxamide

Systemtic Name: N-[4-methylsulfanyl-1-[[2-(4-nitrophenyl)-2-oxidanyl-ethyl]amino]-1-oxidanylidene-butan-2-yl]furan-2-carboxamide Openeye Name: N-[1-[[2-hydroxy-2-(4-nitrophenyl)ethyl]carbamoyl]-3-methylsulfanyl-propyl]furan-2-carboxamide CAS Name: N-[1-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-4-(methylthio)-1-oxobutan-2-yl]-2-furancarboxamide IUPAC Name: N-[1-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide Traditional Name: N-[1-[[2-hydroxy-2-(4-nitrophenyl)ethyl]carbamoyl]-3-(methylthio)propyl]-2-furamide Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC(C1=CC=C(C=C1)[N+](=O)[O-])O)NC(=O)C2=CC=CO2

Isomeric SMILES

CSCCC(C(=O)NCC(C1=CC=C(C=C1)[N+](=O)[O-])O)NC(=O)C2=CC=CO2

InChI

InChI=1S/C18H21N3O6S/c1-28-10-8-14(20-18(24)16-3-2-9-27-16)17(23)19-11-15(22)12-4-6-13(7-5-12)21(25)26/h2-7,9,14-15,22H,8,10-11H2,1H3,(H,19,23)(H,20,24)