N-(2,5-dimethylphenyl)-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,5-dimethylphenyl)-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanyl-ethanamide Openeye Name: N-(2,5-dimethylphenyl)-2-(4-morpholinophthalazin-1-yl)sulfanyl-acetamide CAS Name: N-(2,5-dimethylphenyl)-2-[[4-(4-morpholinyl)-1-phthalazinyl]thio]acetamide IUPAC Name: N-(2,5-dimethylphenyl)-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanylacetamide Traditional Name: N-(2,5-dimethylphenyl)-2-[(4-morpholinophthalazin-1-yl)thio]acetamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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