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

Systemtic Name: N-[(2S)-4-methylsulfanyl-1-[2-(3-nitrophenyl)carbonylhydrazinyl]-1-oxidanylidene-butan-2-yl]-2-phenoxy-ethanamide Openeye Name: N-[(1S)-3-methylsulfanyl-1-[[(3-nitrobenzoyl)amino]carbamoyl]propyl]-2-phenoxy-acetamide CAS Name: N-[(2S)-4-(methylthio)-1-[[(3-nitrophenyl)-oxomethyl]hydrazo]-1-oxobutan-2-yl]-2-phenoxyacetamide IUPAC Name: N-[(2S)-4-methylsulfanyl-1-[2-(3-nitrobenzoyl)hydrazinyl]-1-oxobutan-2-yl]-2-phenoxyacetamide Traditional Name: N-[(1S)-3-(methylthio)-1-[[(3-nitrobenzoyl)amino]carbamoyl]propyl]-2-phenoxy-acetamide Formula: C20H22N4O6S MolecularWeight: 446.47688

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-])NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CSCC[C@@H](C(=O)NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-])NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C20H22N4O6S/c1-31-11-10-17(21-18(25)13-30-16-8-3-2-4-9-16)20(27)23-22-19(26)14-6-5-7-15(12-14)24(28)29/h2-9,12,17H,10-11,13H2,1H3,(H,21,25)(H,22,26)(H,23,27)/t17-/m0/s1