N-[(2S)-4-methylsulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]furan-2-carboxamide

Systemtic Name: N-[(2S)-4-methylsulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-3-methylsulfanyl-1-[4-(4-nitrophenyl)piperazine-1-carbonyl]propyl]furan-2-carboxamide CAS Name: N-[(2S)-4-(methylthio)-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-oxobutan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-4-methylsulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxobutan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-3-(methylthio)-1-[4-(4-nitrophenyl)piperazine-1-carbonyl]propyl]-2-furamide Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CO3

Isomeric SMILES

CSCC[C@@H](C(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CO3

InChI

InChI=1S/C20H24N4O5S/c1-30-14-8-17(21-19(25)18-3-2-13-29-18)20(26)23-11-9-22(10-12-23)15-4-6-16(7-5-15)24(27)28/h2-7,13,17H,8-12,14H2,1H3,(H,21,25)/t17-/m0/s1