N-(2,6-dimethylphenyl)-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanyl-ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-(4-morpholinophthalazin-1-yl)sulfanyl-acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[[4-(4-morpholinyl)-1-phthalazinyl]thio]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanylacetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[(4-morpholinophthalazin-1-yl)thio]acetamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NN=C(C3=CC=CC=C32)N4CCOCC4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NN=C(C3=CC=CC=C32)N4CCOCC4

InChI

InChI=1S/C22H24N4O2S/c1-15-6-5-7-16(2)20(15)23-19(27)14-29-22-18-9-4-3-8-17(18)21(24-25-22)26-10-12-28-13-11-26/h3-9H,10-14H2,1-2H3,(H,23,27)