2-(1H-perimidin-2-ylsulfanyl)-1-[4-(phenylmethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-(1H-perimidin-2-ylsulfanyl)-1-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-(1H-perimidin-2-ylsulfanyl)ethanone CAS Name: 2-(1H-perimidin-2-ylthio)-1-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-(1H-perimidin-2-ylsulfanyl)ethanone Traditional Name: 1-(4-benzylpiperidino)-2-(1H-perimidin-2-ylthio)ethanone Formula: C25H25N3OS MolecularWeight: 415.5505

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC5=C4C(=CC=C5)N3

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC5=C4C(=CC=C5)N3

InChI

InChI=1S/C25H25N3OS/c29-23(28-14-12-19(13-15-28)16-18-6-2-1-3-7-18)17-30-25-26-21-10-4-8-20-9-5-11-22(27-25)24(20)21/h1-11,19H,12-17H2,(H,26,27)