N-(2,3-dimethylphenyl)-2-[2-(4-phenylphthalazin-1-yl)sulfanylethanoylamino]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[2-(4-phenylphthalazin-1-yl)sulfanylethanoylamino]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[[2-(4-phenylphthalazin-1-yl)sulfanylacetyl]amino]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[[1-oxo-2-[(4-phenyl-1-phthalazinyl)thio]ethyl]amino]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[[2-(4-phenylphthalazin-1-yl)sulfanylacetyl]amino]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[[2-[(4-phenylphthalazin-1-yl)thio]acetyl]amino]acetamide Formula: C26H24N4O2S MolecularWeight: 456.55936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24N4O2S/c1-17-9-8-14-22(18(17)2)28-23(31)15-27-24(32)16-33-26-21-13-7-6-12-20(21)25(29-30-26)19-10-4-3-5-11-19/h3-14H,15-16H2,1-2H3,(H,27,32)(H,28,31)