N-[(3-methoxyphenyl)methyl]-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanyl-ethanamide

Systemtic Name: N-[(3-methoxyphenyl)methyl]-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanyl-ethanamide Openeye Name: N-[(3-methoxyphenyl)methyl]-2-(4-morpholinophthalazin-1-yl)sulfanyl-acetamide CAS Name: N-[(3-methoxyphenyl)methyl]-2-[[4-(4-morpholinyl)-1-phthalazinyl]thio]acetamide IUPAC Name: N-[(3-methoxyphenyl)methyl]-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanylacetamide Traditional Name: N-m-anisyl-2-[(4-morpholinophthalazin-1-yl)thio]acetamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)CSC2=NN=C(C3=CC=CC=C32)N4CCOCC4

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)CSC2=NN=C(C3=CC=CC=C32)N4CCOCC4

InChI

InChI=1S/C22H24N4O3S/c1-28-17-6-4-5-16(13-17)14-23-20(27)15-30-22-19-8-3-2-7-18(19)21(24-25-22)26-9-11-29-12-10-26/h2-8,13H,9-12,14-15H2,1H3,(H,23,27)