4-[[(1R)-2,2,2-tris(chloranyl)-1-(2-fluoranylethanoylamino)ethyl]carbamothioylamino]benzoate

Systemtic Name: 4-[[(1R)-2,2,2-tris(chloranyl)-1-(2-fluoranylethanoylamino)ethyl]carbamothioylamino]benzoate Openeye Name: 4-[[(1R)-2,2,2-trichloro-1-[(2-fluoroacetyl)amino]ethyl]carbamothioylamino]benzoate CAS Name: 4-[[sulfanylidene-[[(1R)-2,2,2-trichloro-1-[(2-fluoro-1-oxoethyl)amino]ethyl]amino]methyl]amino]benzoate IUPAC Name: 4-[[(1R)-2,2,2-trichloro-1-[(2-fluoroacetyl)amino]ethyl]carbamothioylamino]benzoate Traditional Name: 4-[[(1R)-2,2,2-trichloro-1-[(2-fluoroacetyl)amino]ethyl]thiocarbamoylamino]benzoate Formula: C12H10Cl3FN3O3S- MolecularWeight: 401.648503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)CF

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])NC(=S)N[C@H](C(Cl)(Cl)Cl)NC(=O)CF

InChI

InChI=1S/C12H11Cl3FN3O3S/c13-12(14,15)10(18-8(20)5-16)19-11(23)17-7-3-1-6(2-4-7)9(21)22/h1-4,10H,5H2,(H,18,20)(H,21,22)(H2,17,19,23)/p-1/t10-/m1/s1