N-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-phenoxy-ethanamide

Systemtic Name: N-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-phenoxy-ethanamide Openeye Name: N-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-phenoxy-acetamide CAS Name: N-[[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-phenoxyacetamide IUPAC Name: N-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-phenoxyacetamide Traditional Name: N-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2-phenoxy-acetamide Formula: C22H16FN3O3S MolecularWeight: 421.444143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16FN3O3S/c23-15-8-6-14(7-9-15)21-25-18-12-16(10-11-19(18)29-21)24-22(30)26-20(27)13-28-17-4-2-1-3-5-17/h1-12H,13H2,(H2,24,26,27,30)