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

Systemtic Name: N-[[2-(2-chloranyl-4-fluoranyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2,2-diphenyl-ethanamide Openeye Name: N-[[2-(2-chloro-4-fluoro-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2,2-diphenyl-acetamide CAS Name: N-[[[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2,2-diphenylacetamide IUPAC Name: N-[[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2,2-diphenylacetamide Traditional Name: N-[[2-(2-chloro-4-fluoro-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2,2-diphenyl-acetamide Formula: C28H19ClFN3O2S MolecularWeight: 515.985763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=C(C=C(C=C5)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=C(C=C(C=C5)F)Cl

InChI

InChI=1S/C28H19ClFN3O2S/c29-22-15-19(30)11-13-21(22)27-32-23-16-20(12-14-24(23)35-27)31-28(36)33-26(34)25(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-16,25H,(H2,31,33,34,36)