N-methyl-N-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanamide

Systemtic Name: N-methyl-N-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanamide Openeye Name: N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide CAS Name: N-methyl-N-[2-[2-(methylthio)anilino]-2-oxoethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide IUPAC Name: N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide Traditional Name: N-[2-keto-2-[2-(methylthio)anilino]ethyl]-2-(4-keto-3H-phthalazin-1-yl)-N-methyl-acetamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1SC)C(=O)CC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1SC)C(=O)CC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C20H20N4O3S/c1-24(12-18(25)21-15-9-5-6-10-17(15)28-2)19(26)11-16-13-7-3-4-8-14(13)20(27)23-22-16/h3-10H,11-12H2,1-2H3,(H,21,25)(H,23,27)