N-(4-ethanoylphenyl)-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-ethanoylphenyl)-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanyl-ethanamide Openeye Name: N-(4-acetylphenyl)-2-(4-morpholinophthalazin-1-yl)sulfanyl-acetamide CAS Name: N-(4-acetylphenyl)-2-[[4-(4-morpholinyl)-1-phthalazinyl]thio]acetamide IUPAC Name: N-(4-acetylphenyl)-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanylacetamide Traditional Name: N-(4-acetylphenyl)-2-[(4-morpholinophthalazin-1-yl)thio]acetamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O3S/c1-15(27)16-6-8-17(9-7-16)23-20(28)14-30-22-19-5-3-2-4-18(19)21(24-25-22)26-10-12-29-13-11-26/h2-9H,10-14H2,1H3,(H,23,28)