N-(tert-butylcarbamoyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide

Systemtic Name: N-(tert-butylcarbamoyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide Openeye Name: N-(tert-butylcarbamoyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-acetamide CAS Name: N-[(tert-butylamino)-oxomethyl]-2-[(4-phenyl-1-phthalazinyl)thio]acetamide IUPAC Name: N-(tert-butylcarbamoyl)-2-(4-phenylphthalazin-1-yl)sulfanylacetamide Traditional Name: N-(tert-butylcarbamoyl)-2-[(4-phenylphthalazin-1-yl)thio]acetamide Formula: C21H22N4O2S MolecularWeight: 394.48998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)CSC1=NN=C(C2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)CSC1=NN=C(C2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O2S/c1-21(2,3)23-20(27)22-17(26)13-28-19-16-12-8-7-11-15(16)18(24-25-19)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3,(H2,22,23,26,27)