2-(3-ethyl-7-methyl-quinolin-2-yl)sulfanyl-1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]ethanone

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C2C=C(C=CC2=C1)C)SCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CCC1=C(N=C2C=C(C=CC2=C1)C)SCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4

InChI

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