1-[(3S)-3-methylpiperidin-1-yl]-2-(1H-perimidin-2-ylsulfanyl)ethanone

Systemtic Name: 1-[(3S)-3-methylpiperidin-1-yl]-2-(1H-perimidin-2-ylsulfanyl)ethanone Openeye Name: 1-[(3S)-3-methyl-1-piperidyl]-2-(1H-perimidin-2-ylsulfanyl)ethanone CAS Name: 1-[(3S)-3-methyl-1-piperidinyl]-2-(1H-perimidin-2-ylthio)ethanone IUPAC Name: 1-[(3S)-3-methylpiperidin-1-yl]-2-(1H-perimidin-2-ylsulfanyl)ethanone Traditional Name: 1-[(3S)-3-methylpiperidino]-2-(1H-perimidin-2-ylthio)ethanone Formula: C19H21N3OS MolecularWeight: 339.45454

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NC3=CC=CC4=C3C(=CC=C4)N2

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)CSC2=NC3=CC=CC4=C3C(=CC=C4)N2

InChI

InChI=1S/C19H21N3OS/c1-13-5-4-10-22(11-13)17(23)12-24-19-20-15-8-2-6-14-7-3-9-16(21-19)18(14)15/h2-3,6-9,13H,4-5,10-12H2,1H3,(H,20,21)/t13-/m0/s1