N-[(1R)-1-[(4-acetamidophenyl)carbamothioylamino]-2,2,2-tris(chloranyl)ethyl]-2-fluoranyl-ethanamide

Systemtic Name: N-[(1R)-1-[(4-acetamidophenyl)carbamothioylamino]-2,2,2-tris(chloranyl)ethyl]-2-fluoranyl-ethanamide Openeye Name: N-[(1R)-1-[(4-acetamidophenyl)carbamothioylamino]-2,2,2-trichloro-ethyl]-2-fluoro-acetamide CAS Name: N-[(1R)-1-[[(4-acetamidoanilino)-sulfanylidenemethyl]amino]-2,2,2-trichloroethyl]-2-fluoroacetamide IUPAC Name: N-[(1R)-1-[(4-acetamidophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-fluoroacetamide Traditional Name: N-[(1R)-1-[(4-acetamidophenyl)thiocarbamoylamino]-2,2,2-trichloro-ethyl]-2-fluoro-acetamide Formula: C13H14Cl3FN4O2S MolecularWeight: 415.698263

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)CF

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=S)N[C@H](C(Cl)(Cl)Cl)NC(=O)CF

InChI

InChI=1S/C13H14Cl3FN4O2S/c1-7(22)18-8-2-4-9(5-3-8)19-12(24)21-11(13(14,15)16)20-10(23)6-17/h2-5,11H,6H2,1H3,(H,18,22)(H,20,23)(H2,19,21,24)/t11-/m1/s1