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

Systemtic Name: 4-[[2-(4-ethoxyphenyl)imino-1,3-thiazinan-3-yl]carbonyl]-2-methyl-phthalazin-1-one Openeye Name: 4-[2-(4-ethoxyphenyl)imino-1,3-thiazinane-3-carbonyl]-2-methyl-phthalazin-1-one CAS Name: 4-[[2-(4-ethoxyphenyl)imino-1,3-thiazinan-3-yl]-oxomethyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[2-(4-ethoxyphenyl)imino-1,3-thiazinane-3-carbonyl]-2-methylphthalazin-1-one Traditional Name: 2-methyl-4-(2-p-phenetylimino-1,3-thiazinane-3-carbonyl)phthalazin-1-one Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N=C2N(CCCS2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N=C2N(CCCS2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C22H22N4O3S/c1-3-29-16-11-9-15(10-12-16)23-22-26(13-6-14-30-22)21(28)19-17-7-4-5-8-18(17)20(27)25(2)24-19/h4-5,7-12H,3,6,13-14H2,1-2H3