N-[[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-phenyl-ethanamide

Systemtic Name: N-[[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-phenyl-ethanamide Openeye Name: N-[[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-phenyl-acetamide CAS Name: N-[[[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-phenylacetamide Traditional Name: N-[[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2-phenyl-acetamide Formula: C22H16ClN3O2S MolecularWeight: 421.89934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4Cl

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H16ClN3O2S/c23-17-9-5-4-8-16(17)21-25-18-13-15(10-11-19(18)28-21)24-22(29)26-20(27)12-14-6-2-1-3-7-14/h1-11,13H,12H2,(H2,24,26,27,29)