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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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