3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide

Systemtic Name: 3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide Openeye Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide CAS Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methyl-N-[[4-(methylthio)phenyl]methyl]propanamide IUPAC Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide Traditional Name: 3-(1,4-diketo-3H-phthalazin-2-yl)-N-methyl-N-[4-(methylthio)benzyl]propionamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)C(=O)CCN2C(=O)C3=CC=CC=C3C(=O)N2

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)C(=O)CCN2C(=O)C3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C20H21N3O3S/c1-22(13-14-7-9-15(27-2)10-8-14)18(24)11-12-23-20(26)17-6-4-3-5-16(17)19(25)21-23/h3-10H,11-13H2,1-2H3,(H,21,25)