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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC5=CC=CC=C5O4

InChI

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