2-(6-ethoxy-3-methyl-quinolin-2-yl)sulfanyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(6-ethoxy-3-methyl-quinolin-2-yl)sulfanyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone Openeye Name: 2-[(6-ethoxy-3-methyl-2-quinolyl)sulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone CAS Name: 2-[(6-ethoxy-3-methyl-2-quinolinyl)thio]-1-[4-(2-methoxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(6-ethoxy-3-methyl-2-quinolyl)thio]-1-[4-(2-methoxyphenyl)piperazino]ethanone Formula: C25H29N3O3S MolecularWeight: 451.58106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=CC(=C(N=C2C=C1)SCC(=O)N3CCN(CC3)C4=CC=CC=C4OC)C

Isomeric SMILES

CCOC1=CC2=CC(=C(N=C2C=C1)SCC(=O)N3CCN(CC3)C4=CC=CC=C4OC)C

InChI

InChI=1S/C25H29N3O3S/c1-4-31-20-9-10-21-19(16-20)15-18(2)25(26-21)32-17-24(29)28-13-11-27(12-14-28)22-7-5-6-8-23(22)30-3/h5-10,15-16H,4,11-14,17H2,1-3H3