1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-(5-pyrrolidin-1-ylcarbonylpyridin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-(5-pyrrolidin-1-ylcarbonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]sulfanyl]ethanone CAS Name: 2-[[5-[oxo(1-pyrrolidinyl)methyl]-2-pyridinyl]thio]-1-[4-(2-phenoxyethyl)-1-piperazinyl]ethanone IUPAC Name: 1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-[5-(pyrrolidine-1-carbonyl)pyridin-2-yl]sulfanylethanone Traditional Name: 1-[4-(2-phenoxyethyl)piperazino]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]thio]ethanone Formula: C24H30N4O3S MolecularWeight: 454.585

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CN=C(C=C2)SCC(=O)N3CCN(CC3)CCOC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CN=C(C=C2)SCC(=O)N3CCN(CC3)CCOC4=CC=CC=C4

InChI

InChI=1S/C24H30N4O3S/c29-23(19-32-22-9-8-20(18-25-22)24(30)28-10-4-5-11-28)27-14-12-26(13-15-27)16-17-31-21-6-2-1-3-7-21/h1-3,6-9,18H,4-5,10-17,19H2