1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-[3-(phenylmethyl)quinolin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-[3-(phenylmethyl)quinolin-2-yl]sulfanyl-ethanone Openeye Name: 2-[(3-benzyl-2-quinolyl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 1-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-[[3-(phenylmethyl)-2-quinolinyl]thio]ethanone IUPAC Name: 2-(3-benzylquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[(3-benzyl-2-quinolyl)thio]-1-[4-(2-furoyl)piperazino]ethanone Formula: C27H25N3O3S MolecularWeight: 471.5707

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3C=C2CC4=CC=CC=C4)C(=O)C5=CC=CO5

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3C=C2CC4=CC=CC=C4)C(=O)C5=CC=CO5

InChI

InChI=1S/C27H25N3O3S/c31-25(29-12-14-30(15-13-29)27(32)24-11-6-16-33-24)19-34-26-22(17-20-7-2-1-3-8-20)18-21-9-4-5-10-23(21)28-26/h1-11,16,18H,12-15,17,19H2