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

Systemtic Name: N-[[3-(5-chloranyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,2-diphenyl-ethanamide Openeye Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,2-diphenyl-acetamide CAS Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-2,2-diphenylacetamide IUPAC Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,2-diphenylacetamide Traditional Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-2,2-diphenyl-acetamide Formula: C28H20ClN3O2S MolecularWeight: 497.9953

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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=CC=CC(=C3)C4=NC5=C(O4)C=CC(=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(=S)NC3=CC=CC(=C3)C4=NC5=C(O4)C=CC(=C5)Cl

InChI

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