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

Systemtic Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3,6,7-trimethylquinolin-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[(3,6,7-trimethyl-2-quinolyl)sulfanyl]ethanone CAS Name: 1-[4-(2-methoxyphenyl)-1-piperazinyl]-2-[(3,6,7-trimethyl-2-quinolinyl)thio]ethanone IUPAC Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3,6,7-trimethylquinolin-2-yl)sulfanylethanone Traditional Name: 1-[4-(2-methoxyphenyl)piperazino]-2-[(3,6,7-trimethyl-2-quinolyl)thio]ethanone Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(C=C2N=C1SCC(=O)N3CCN(CC3)C4=CC=CC=C4OC)C)C

Isomeric SMILES

CC1=CC2=CC(=C(C=C2N=C1SCC(=O)N3CCN(CC3)C4=CC=CC=C4OC)C)C

InChI

InChI=1S/C25H29N3O2S/c1-17-13-20-14-19(3)25(26-21(20)15-18(17)2)31-16-24(29)28-11-9-27(10-12-28)22-7-5-6-8-23(22)30-4/h5-8,13-15H,9-12,16H2,1-4H3