2-(3,4-dimethoxyphenyl)-5-fluoranyl-1-[1-(thiolan-3-yl)piperidin-4-yl]benzimidazole

Systemtic Name: 2-(3,4-dimethoxyphenyl)-5-fluoranyl-1-[1-(thiolan-3-yl)piperidin-4-yl]benzimidazole Openeye Name: 2-(3,4-dimethoxyphenyl)-5-fluoro-1-(1-tetrahydrothiophen-3-yl-4-piperidyl)benzimidazole CAS Name: 2-(3,4-dimethoxyphenyl)-5-fluoro-1-[1-(3-thiolanyl)-4-piperidinyl]benzimidazole IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-fluoro-1-[1-(thiolan-3-yl)piperidin-4-yl]benzimidazole Traditional Name: 2-(3,4-dimethoxyphenyl)-5-fluoro-1-(1-tetrahydrothiophen-3-yl-4-piperidyl)benzimidazole Formula: C24H28FN3O2S MolecularWeight: 441.561423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(N2C4CCN(CC4)C5CCSC5)C=CC(=C3)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(N2C4CCN(CC4)C5CCSC5)C=CC(=C3)F)OC

InChI

InChI=1S/C24H28FN3O2S/c1-29-22-6-3-16(13-23(22)30-2)24-26-20-14-17(25)4-5-21(20)28(24)18-7-10-27(11-8-18)19-9-12-31-15-19/h3-6,13-14,18-19H,7-12,15H2,1-2H3