1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-(4-methylquinolin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-(4-methylquinolin-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-[(4-methyl-2-quinolyl)sulfanyl]ethanone CAS Name: 1-[4-(4-hydroxyphenyl)-1-piperazinyl]-2-[(4-methyl-2-quinolinyl)thio]ethanone IUPAC Name: 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-(4-methylquinolin-2-yl)sulfanylethanone Traditional Name: 1-[4-(4-hydroxyphenyl)piperazino]-2-[(4-methyl-2-quinolyl)thio]ethanone Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)O

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)O

InChI

InChI=1S/C22H23N3O2S/c1-16-14-21(23-20-5-3-2-4-19(16)20)28-15-22(27)25-12-10-24(11-13-25)17-6-8-18(26)9-7-17/h2-9,14,26H,10-13,15H2,1H3