2-[4-[3-(4-fluorophenyl)-2-methylsulfanyl-imidazol-4-yl]carbonylpiperazin-1-yl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[4-[3-(4-fluorophenyl)-2-methylsulfanyl-imidazol-4-yl]carbonylpiperazin-1-yl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-[3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carbonyl]piperazin-1-yl]-1-morpholino-ethanone CAS Name: 2-[4-[[3-(4-fluorophenyl)-2-(methylthio)-4-imidazolyl]-oxomethyl]-1-piperazinyl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-[3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone Traditional Name: 2-[4-[3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carbonyl]piperazino]-1-morpholino-ethanone Formula: C21H26FN5O3S MolecularWeight: 447.526243

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)N3CCN(CC3)CC(=O)N4CCOCC4

Isomeric SMILES

CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)N3CCN(CC3)CC(=O)N4CCOCC4

InChI

InChI=1S/C21H26FN5O3S/c1-31-21-23-14-18(27(21)17-4-2-16(22)3-5-17)20(29)26-8-6-24(7-9-26)15-19(28)25-10-12-30-13-11-25/h2-5,14H,6-13,15H2,1H3