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

Systemtic Name: 4-[[2-(4-ethanoylphenyl)imino-1,3-thiazinan-3-yl]carbonyl]-2-methyl-phthalazin-1-one Openeye Name: 4-[2-(4-acetylphenyl)imino-1,3-thiazinane-3-carbonyl]-2-methyl-phthalazin-1-one CAS Name: 4-[[2-(4-acetylphenyl)imino-1,3-thiazinan-3-yl]-oxomethyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[2-(4-acetylphenyl)imino-1,3-thiazinane-3-carbonyl]-2-methylphthalazin-1-one Traditional Name: 4-[2-(4-acetylphenyl)imino-1,3-thiazinane-3-carbonyl]-2-methyl-phthalazin-1-one Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N=C2N(CCCS2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N=C2N(CCCS2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C22H20N4O3S/c1-14(27)15-8-10-16(11-9-15)23-22-26(12-5-13-30-22)21(29)19-17-6-3-4-7-18(17)20(28)25(2)24-19/h3-4,6-11H,5,12-13H2,1-2H3