N-(1,3-benzodioxol-5-yl)-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(4-morpholinophthalazin-1-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[4-(4-morpholinyl)-1-phthalazinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(4-morpholinophthalazin-1-yl)thio]acetamide Formula: C21H20N4O4S MolecularWeight: 424.4729

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NN=C(C3=CC=CC=C32)SCC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1COCCN1C2=NN=C(C3=CC=CC=C32)SCC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H20N4O4S/c26-19(22-14-5-6-17-18(11-14)29-13-28-17)12-30-21-16-4-2-1-3-15(16)20(23-24-21)25-7-9-27-10-8-25/h1-6,11H,7-10,12-13H2,(H,22,26)