(2R)-2-(aminocarbonylamino)-N-(4-fluoranyl-3-nitro-phenyl)-4-methylsulfanyl-butanamide

Systemtic Name: (2R)-2-(aminocarbonylamino)-N-(4-fluoranyl-3-nitro-phenyl)-4-methylsulfanyl-butanamide Openeye Name: (2R)-N-(4-fluoro-3-nitro-phenyl)-4-methylsulfanyl-2-ureido-butanamide CAS Name: (2R)-2-(carbamoylamino)-N-(4-fluoro-3-nitrophenyl)-4-(methylthio)butanamide IUPAC Name: (2R)-2-(carbamoylamino)-N-(4-fluoro-3-nitrophenyl)-4-methylsulfanylbutanamide Traditional Name: (2R)-N-(4-fluoro-3-nitro-phenyl)-4-(methylthio)-2-ureido-butyramide Formula: C12H15FN4O4S MolecularWeight: 330.335303

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])NC(=O)N

Isomeric SMILES

CSCC[C@H](C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])NC(=O)N

InChI

InChI=1S/C12H15FN4O4S/c1-22-5-4-9(16-12(14)19)11(18)15-7-2-3-8(13)10(6-7)17(20)21/h2-3,6,9H,4-5H2,1H3,(H,15,18)(H3,14,16,19)/t9-/m1/s1