4-[[2-(3,4-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]carbonyl]-2-methyl-phthalazin-1-one

Systemtic Name: 4-[[2-(3,4-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]carbonyl]-2-methyl-phthalazin-1-one Openeye Name: 4-[2-(3,4-dimethoxyphenyl)imino-1,3-thiazinane-3-carbonyl]-2-methyl-phthalazin-1-one CAS Name: 4-[[2-(3,4-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]-oxomethyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[2-(3,4-dimethoxyphenyl)imino-1,3-thiazinane-3-carbonyl]-2-methylphthalazin-1-one Traditional Name: 4-[2-(3,4-dimethoxyphenyl)imino-1,3-thiazinane-3-carbonyl]-2-methyl-phthalazin-1-one Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCSC3=NC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCSC3=NC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C22H22N4O4S/c1-25-20(27)16-8-5-4-7-15(16)19(24-25)21(28)26-11-6-12-31-22(26)23-14-9-10-17(29-2)18(13-14)30-3/h4-5,7-10,13H,6,11-12H2,1-3H3