2-[4-[2-(phenylmethylsulfanyl)pyridin-3-yl]carbonylpiperazin-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[2-(phenylmethylsulfanyl)pyridin-3-yl]carbonylpiperazin-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(2-benzylsulfanylpyridine-3-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[oxo-[2-(phenylmethylthio)-3-pyridinyl]methyl]-1-piperazinyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(2-benzylsulfanylpyridine-3-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[2-(benzylthio)nicotinoyl]piperazino]-1-pyrrolidino-ethanone Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2CCN(CC2)C(=O)C3=C(N=CC=C3)SCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)CN2CCN(CC2)C(=O)C3=C(N=CC=C3)SCC4=CC=CC=C4

InChI

InChI=1S/C23H28N4O2S/c28-21(26-11-4-5-12-26)17-25-13-15-27(16-14-25)23(29)20-9-6-10-24-22(20)30-18-19-7-2-1-3-8-19/h1-3,6-10H,4-5,11-18H2