N-(3-methylphenyl)-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-methylphenyl)-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanyl-ethanamide Openeye Name: 2-(4-morpholinophthalazin-1-yl)sulfanyl-N-(m-tolyl)acetamide CAS Name: N-(3-methylphenyl)-2-[[4-(4-morpholinyl)-1-phthalazinyl]thio]acetamide IUPAC Name: N-(3-methylphenyl)-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanylacetamide Traditional Name: 2-[(4-morpholinophthalazin-1-yl)thio]-N-(m-tolyl)acetamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O2S/c1-15-5-4-6-16(13-15)22-19(26)14-28-21-18-8-3-2-7-17(18)20(23-24-21)25-9-11-27-12-10-25/h2-8,13H,9-12,14H2,1H3,(H,22,26)