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

Systemtic Name: 1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-(3-methylquinolin-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[(3-methyl-2-quinolyl)sulfanyl]ethanone CAS Name: 1-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-[(3-methyl-2-quinolinyl)thio]ethanone IUPAC Name: 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(3-methylquinolin-2-yl)sulfanylethanone Traditional Name: 1-[4-(2-furoyl)piperazino]-2-[(3-methyl-2-quinolyl)thio]ethanone Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2N=C1SCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CC1=CC2=CC=CC=C2N=C1SCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C21H21N3O3S/c1-15-13-16-5-2-3-6-17(16)22-20(15)28-14-19(25)23-8-10-24(11-9-23)21(26)18-7-4-12-27-18/h2-7,12-13H,8-11,14H2,1H3