1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-(3,6,7-trimethylquinolin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-(3,6,7-trimethylquinolin-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[(3,6,7-trimethyl-2-quinolyl)sulfanyl]ethanone CAS Name: 1-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-[(3,6,7-trimethyl-2-quinolinyl)thio]ethanone IUPAC Name: 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(3,6,7-trimethylquinolin-2-yl)sulfanylethanone Traditional Name: 1-[4-(2-furoyl)piperazino]-2-[(3,6,7-trimethyl-2-quinolyl)thio]ethanone Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O3S/c1-15-11-18-12-17(3)22(24-19(18)13-16(15)2)30-14-21(27)25-6-8-26(9-7-25)23(28)20-5-4-10-29-20/h4-5,10-13H,6-9,14H2,1-3H3