N-(4-bromanyl-3-fluoranyl-phenyl)-4-[2-[4-(4-methoxyphenyl)piperidin-1-yl]-1-oxidanyl-ethyl]piperidine-1-carbothioamide

Systemtic Name: N-(4-bromanyl-3-fluoranyl-phenyl)-4-[2-[4-(4-methoxyphenyl)piperidin-1-yl]-1-oxidanyl-ethyl]piperidine-1-carbothioamide Openeye Name: N-(4-bromo-3-fluoro-phenyl)-4-[1-hydroxy-2-[4-(4-methoxyphenyl)-1-piperidyl]ethyl]piperidine-1-carbothioamide CAS Name: N-(4-bromo-3-fluorophenyl)-4-[1-hydroxy-2-[4-(4-methoxyphenyl)-1-piperidinyl]ethyl]-1-piperidinecarbothioamide IUPAC Name: N-(4-bromo-3-fluorophenyl)-4-[1-hydroxy-2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]piperidine-1-carbothioamide Traditional Name: N-(4-bromo-3-fluoro-phenyl)-4-[1-hydroxy-2-[4-(4-methoxyphenyl)piperidino]ethyl]piperidine-1-carbothioamide Formula: C26H33BrFN3O2S MolecularWeight: 550.526523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCN(CC2)CC(C3CCN(CC3)C(=S)NC4=CC(=C(C=C4)Br)F)O

Isomeric SMILES

COC1=CC=C(C=C1)C2CCN(CC2)CC(C3CCN(CC3)C(=S)NC4=CC(=C(C=C4)Br)F)O

InChI

InChI=1S/C26H33BrFN3O2S/c1-33-22-5-2-18(3-6-22)19-8-12-30(13-9-19)17-25(32)20-10-14-31(15-11-20)26(34)29-21-4-7-23(27)24(28)16-21/h2-7,16,19-20,25,32H,8-15,17H2,1H3,(H,29,34)