2-fluoranyl-N-[(1R)-2,2,2-tris(chloranyl)-1-[(4-methoxy-3-nitro-phenyl)carbamothioylamino]ethyl]ethanamide

Systemtic Name: 2-fluoranyl-N-[(1R)-2,2,2-tris(chloranyl)-1-[(4-methoxy-3-nitro-phenyl)carbamothioylamino]ethyl]ethanamide Openeye Name: 2-fluoro-N-[(1R)-2,2,2-trichloro-1-[(4-methoxy-3-nitro-phenyl)carbamothioylamino]ethyl]acetamide CAS Name: 2-fluoro-N-[(1R)-2,2,2-trichloro-1-[[(4-methoxy-3-nitroanilino)-sulfanylidenemethyl]amino]ethyl]acetamide IUPAC Name: 2-fluoro-N-[(1R)-2,2,2-trichloro-1-[(4-methoxy-3-nitrophenyl)carbamothioylamino]ethyl]acetamide Traditional Name: 2-fluoro-N-[(1R)-2,2,2-trichloro-1-[(4-methoxy-3-nitro-phenyl)thiocarbamoylamino]ethyl]acetamide Formula: C12H12Cl3FN4O4S MolecularWeight: 433.670483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)CF)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)N[C@H](C(Cl)(Cl)Cl)NC(=O)CF)[N+](=O)[O-]

InChI

InChI=1S/C12H12Cl3FN4O4S/c1-24-8-3-2-6(4-7(8)20(22)23)17-11(25)19-10(12(13,14)15)18-9(21)5-16/h2-4,10H,5H2,1H3,(H,18,21)(H2,17,19,25)/t10-/m1/s1