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

Systemtic Name: N-[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2,2-diphenyl-ethanamide Openeye Name: N-[[2-(o-tolyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2,2-diphenyl-acetamide CAS Name: N-[[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2,2-diphenylacetamide IUPAC Name: N-[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2,2-diphenylacetamide Traditional Name: N-[[2-(o-tolyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2,2-diphenyl-acetamide Formula: C29H23N3O2S MolecularWeight: 477.57682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H23N3O2S/c1-19-10-8-9-15-23(19)28-31-24-18-22(16-17-25(24)34-28)30-29(35)32-27(33)26(20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-18,26H,1H3,(H2,30,32,33,35)