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

Systemtic Name: N-[[3-(1,3-benzoxazol-2-yl)-4-chloranyl-phenyl]carbamothioyl]-2,2-diphenyl-ethanamide Openeye Name: N-[[3-(1,3-benzoxazol-2-yl)-4-chloro-phenyl]carbamothioyl]-2,2-diphenyl-acetamide CAS Name: N-[[3-(1,3-benzoxazol-2-yl)-4-chloroanilino]-sulfanylidenemethyl]-2,2-diphenylacetamide IUPAC Name: N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-2,2-diphenylacetamide Traditional Name: N-[[3-(1,3-benzoxazol-2-yl)-4-chloro-phenyl]thiocarbamoyl]-2,2-diphenyl-acetamide Formula: C28H20ClN3O2S MolecularWeight: 497.9953

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(=S)NC3=CC(=C(C=C3)Cl)C4=NC5=CC=CC=C5O4

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(=S)NC3=CC(=C(C=C3)Cl)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C28H20ClN3O2S/c29-22-16-15-20(17-21(22)27-31-23-13-7-8-14-24(23)34-27)30-28(35)32-26(33)25(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17,25H,(H2,30,32,33,35)