2-[2-(4-phenylphthalazin-1-yl)sulfanylethanoylamino]-N-(2,4,6-trimethylphenyl)ethanamide

Systemtic Name: 2-[2-(4-phenylphthalazin-1-yl)sulfanylethanoylamino]-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-[[2-(4-phenylphthalazin-1-yl)sulfanylacetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[[1-oxo-2-[(4-phenyl-1-phthalazinyl)thio]ethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-[[2-(4-phenylphthalazin-1-yl)sulfanylacetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: N-mesityl-2-[[2-[(4-phenylphthalazin-1-yl)thio]acetyl]amino]acetamide Formula: C27H26N4O2S MolecularWeight: 470.58594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CNC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CNC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4)C

InChI

InChI=1S/C27H26N4O2S/c1-17-13-18(2)25(19(3)14-17)29-23(32)15-28-24(33)16-34-27-22-12-8-7-11-21(22)26(30-31-27)20-9-5-4-6-10-20/h4-14H,15-16H2,1-3H3,(H,28,33)(H,29,32)