2,2-dimethyl-N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]propanamide

Systemtic Name: 2,2-dimethyl-N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]propanamide Openeye Name: 2,2-dimethyl-N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]propanamide CAS Name: 2,2-dimethyl-N-[[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]propanamide IUPAC Name: 2,2-dimethyl-N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]propanamide Traditional Name: 2,2-dimethyl-N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]propionamide Formula: C25H23N3O2S MolecularWeight: 429.53402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H23N3O2S/c1-25(2,3)23(29)28-24(31)26-19-13-14-21-20(15-19)27-22(30-21)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-15H,1-3H3,(H2,26,28,29,31)