2-methyl-4-[(3S)-3-(4-methylsulfanylphenyl)carbonylpiperidin-1-yl]carbonyl-phthalazin-1-one

Systemtic Name: 2-methyl-4-[(3S)-3-(4-methylsulfanylphenyl)carbonylpiperidin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-methyl-4-[(3S)-3-(4-methylsulfanylbenzoyl)piperidine-1-carbonyl]phthalazin-1-one CAS Name: 2-methyl-4-[[(3S)-3-[[4-(methylthio)phenyl]-oxomethyl]-1-piperidinyl]-oxomethyl]-1-phthalazinone IUPAC Name: 2-methyl-4-[(3S)-3-(4-methylsulfanylbenzoyl)piperidine-1-carbonyl]phthalazin-1-one Traditional Name: 2-methyl-4-[(3S)-3-[4-(methylthio)benzoyl]piperidine-1-carbonyl]phthalazin-1-one Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCC(C3)C(=O)C4=CC=C(C=C4)SC

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC[C@@H](C3)C(=O)C4=CC=C(C=C4)SC

InChI

InChI=1S/C23H23N3O3S/c1-25-22(28)19-8-4-3-7-18(19)20(24-25)23(29)26-13-5-6-16(14-26)21(27)15-9-11-17(30-2)12-10-15/h3-4,7-12,16H,5-6,13-14H2,1-2H3/t16-/m0/s1