1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-(7-methoxy-4-phenyl-quinolin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-(7-methoxy-4-phenyl-quinolin-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[(7-methoxy-4-phenyl-2-quinolyl)sulfanyl]ethanone CAS Name: 1-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-[(7-methoxy-4-phenyl-2-quinolinyl)thio]ethanone IUPAC Name: 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylethanone Traditional Name: 1-[4-(2-furoyl)piperazino]-2-[(7-methoxy-4-phenyl-2-quinolyl)thio]ethanone Formula: C27H25N3O4S MolecularWeight: 487.5701

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=N2)SCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=N2)SCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4)C5=CC=CC=C5

InChI

InChI=1S/C27H25N3O4S/c1-33-20-9-10-21-22(19-6-3-2-4-7-19)17-25(28-23(21)16-20)35-18-26(31)29-11-13-30(14-12-29)27(32)24-8-5-15-34-24/h2-10,15-17H,11-14,18H2,1H3