N-(2-adamantylcarbamothioyl)-2,2-diphenyl-ethanamide

Systemtic Name: N-(2-adamantylcarbamothioyl)-2,2-diphenyl-ethanamide Openeye Name: N-(2-adamantylcarbamothioyl)-2,2-diphenyl-acetamide CAS Name: N-[(2-adamantylamino)-sulfanylidenemethyl]-2,2-diphenylacetamide IUPAC Name: N-(2-adamantylcarbamothioyl)-2,2-diphenylacetamide Traditional Name: N-(2-adamantylthiocarbamoyl)-2,2-diphenyl-acetamide Formula: C25H28N2OS MolecularWeight: 404.56762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=S)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=S)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H28N2OS/c28-24(22(18-7-3-1-4-8-18)19-9-5-2-6-10-19)27-25(29)26-23-20-12-16-11-17(14-20)15-21(23)13-16/h1-10,16-17,20-23H,11-15H2,(H2,26,27,28,29)