2-(7,8-dimethoxyphthalazin-1-yl)sulfanyl-N-quinolin-4-yl-ethanamide

Systemtic Name: 2-(7,8-dimethoxyphthalazin-1-yl)sulfanyl-N-quinolin-4-yl-ethanamide Openeye Name: 2-(7,8-dimethoxyphthalazin-1-yl)sulfanyl-N-(4-quinolyl)acetamide CAS Name: 2-[(7,8-dimethoxy-1-phthalazinyl)thio]-N-(4-quinolinyl)acetamide IUPAC Name: 2-(7,8-dimethoxyphthalazin-1-yl)sulfanyl-N-quinolin-4-ylacetamide Traditional Name: 2-[(7,8-dimethoxyphthalazin-1-yl)thio]-N-(4-quinolyl)acetamide Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(N=NC=C2C=C1)SCC(=O)NC3=CC=NC4=CC=CC=C43)OC

Isomeric SMILES

COC1=C(C2=C(N=NC=C2C=C1)SCC(=O)NC3=CC=NC4=CC=CC=C43)OC

InChI

InChI=1S/C21H18N4O3S/c1-27-17-8-7-13-11-23-25-21(19(13)20(17)28-2)29-12-18(26)24-16-9-10-22-15-6-4-3-5-14(15)16/h3-11H,12H2,1-2H3,(H,22,24,26)