N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(1-methyl-2-oxidanylidene-quinolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(1-methyl-2-oxidanylidene-quinolin-4-yl)sulfanyl-ethanamide Openeye Name: N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-[(1-methyl-2-oxo-4-quinolyl)sulfanyl]acetamide CAS Name: N-[3-[4-(4-fluorophenyl)-1-piperazinyl]propyl]-2-[(1-methyl-2-oxo-4-quinolinyl)thio]acetamide IUPAC Name: N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide Traditional Name: N-[3-[4-(4-fluorophenyl)piperazino]propyl]-2-[(2-keto-1-methyl-4-quinolyl)thio]acetamide Formula: C25H29FN4O2S MolecularWeight: 468.586763

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=CC1=O)SCC(=O)NCCCN3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CN1C2=CC=CC=C2C(=CC1=O)SCC(=O)NCCCN3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H29FN4O2S/c1-28-22-6-3-2-5-21(22)23(17-25(28)32)33-18-24(31)27-11-4-12-29-13-15-30(16-14-29)20-9-7-19(26)8-10-20/h2-3,5-10,17H,4,11-16,18H2,1H3,(H,27,31)