N-(1-adamantylcarbamoyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[(4-phenyl-1-phthalazinyl)thio]acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-(4-phenylphthalazin-1-yl)sulfanylacetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[(4-phenylphthalazin-1-yl)thio]acetamide Formula: C27H28N4O2S MolecularWeight: 472.60182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)CSC4=NN=C(C5=CC=CC=C54)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)CSC4=NN=C(C5=CC=CC=C54)C6=CC=CC=C6

InChI

InChI=1S/C27H28N4O2S/c32-23(28-26(33)29-27-13-17-10-18(14-27)12-19(11-17)15-27)16-34-25-22-9-5-4-8-21(22)24(30-31-25)20-6-2-1-3-7-20/h1-9,17-19H,10-16H2,(H2,28,29,32,33)