(2S)-1-(4-methylpiperidin-1-yl)-2-(4-phenylphthalazin-1-yl)sulfanyl-propan-1-one

Systemtic Name: (2S)-1-(4-methylpiperidin-1-yl)-2-(4-phenylphthalazin-1-yl)sulfanyl-propan-1-one Openeye Name: (2S)-1-(4-methyl-1-piperidyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-propan-1-one CAS Name: (2S)-1-(4-methyl-1-piperidinyl)-2-[(4-phenyl-1-phthalazinyl)thio]-1-propanone IUPAC Name: (2S)-1-(4-methylpiperidin-1-yl)-2-(4-phenylphthalazin-1-yl)sulfanylpropan-1-one Traditional Name: (2S)-1-(4-methylpiperidino)-2-[(4-phenylphthalazin-1-yl)thio]propan-1-one Formula: C23H25N3OS MolecularWeight: 391.5291

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C)SC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC1CCN(CC1)C(=O)[C@H](C)SC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3OS/c1-16-12-14-26(15-13-16)23(27)17(2)28-22-20-11-7-6-10-19(20)21(24-25-22)18-8-4-3-5-9-18/h3-11,16-17H,12-15H2,1-2H3/t17-/m0/s1