2-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]carbonylphenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]carbonylphenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[2-[4-(2-pyridylmethyl)piperazine-1-carbonyl]phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[2-[oxo-[4-(2-pyridinylmethyl)-1-piperazinyl]methyl]phenyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[2-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]phenyl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[2-[4-(2-pyridylmethyl)piperazine-1-carbonyl]phenyl]thio]-1-pyrrolidino-ethanone Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)N3CCN(CC3)CC4=CC=CC=N4

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)N3CCN(CC3)CC4=CC=CC=N4

InChI

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