N-[[2-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-1,3-benzoxazol-5-yl]carbamothioyl]-2-phenyl-ethanamide

Systemtic Name: N-[[2-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-1,3-benzoxazol-5-yl]carbamothioyl]-2-phenyl-ethanamide Openeye Name: N-[[2-(2,3,4,5,6-pentafluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-phenyl-acetamide CAS Name: N-[[[2-(2,3,4,5,6-pentafluorophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[[2-(2,3,4,5,6-pentafluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-phenylacetamide Traditional Name: N-[[2-(2,3,4,5,6-pentafluorophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2-phenyl-acetamide Formula: C22H12F5N3O2S MolecularWeight: 477.406596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=C(C(=C(C(=C4F)F)F)F)F

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=C(C(=C(C(=C4F)F)F)F)F

InChI

InChI=1S/C22H12F5N3O2S/c23-16-15(17(24)19(26)20(27)18(16)25)21-29-12-9-11(6-7-13(12)32-21)28-22(33)30-14(31)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,28,30,31,33)