N-[(2S)-4-methylsulfanyl-1-[2-(3-nitrophenyl)carbonylhydrazinyl]-1-oxidanylidene-butan-2-yl]furan-2-carboxamide

Systemtic Name: N-[(2S)-4-methylsulfanyl-1-[2-(3-nitrophenyl)carbonylhydrazinyl]-1-oxidanylidene-butan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-3-methylsulfanyl-1-[[(3-nitrobenzoyl)amino]carbamoyl]propyl]furan-2-carboxamide CAS Name: N-[(2S)-4-(methylthio)-1-[[(3-nitrophenyl)-oxomethyl]hydrazo]-1-oxobutan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-4-methylsulfanyl-1-[2-(3-nitrobenzoyl)hydrazinyl]-1-oxobutan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-3-(methylthio)-1-[[(3-nitrobenzoyl)amino]carbamoyl]propyl]-2-furamide Formula: C17H18N4O6S MolecularWeight: 406.41302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CSCC[C@@H](C(=O)NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-])NC(=O)C2=CC=CO2

InChI

InChI=1S/C17H18N4O6S/c1-28-9-7-13(18-17(24)14-6-3-8-27-14)16(23)20-19-15(22)11-4-2-5-12(10-11)21(25)26/h2-6,8,10,13H,7,9H2,1H3,(H,18,24)(H,19,22)(H,20,23)/t13-/m0/s1