5-[4-(cyclooctylmethyl)piperazin-1-yl]-6-fluoranyl-2-[(4-fluorophenyl)methylsulfanyl]-1H-benzimidazole

Systemtic Name: 5-[4-(cyclooctylmethyl)piperazin-1-yl]-6-fluoranyl-2-[(4-fluorophenyl)methylsulfanyl]-1H-benzimidazole Openeye Name: 5-[4-(cyclooctylmethyl)piperazin-1-yl]-6-fluoro-2-[(4-fluorophenyl)methylsulfanyl]-1H-benzimidazole CAS Name: 5-[4-(cyclooctylmethyl)-1-piperazinyl]-6-fluoro-2-[(4-fluorophenyl)methylthio]-1H-benzimidazole IUPAC Name: 5-[4-(cyclooctylmethyl)piperazin-1-yl]-6-fluoro-2-[(4-fluorophenyl)methylsulfanyl]-1H-benzimidazole Traditional Name: 5-[4-(cyclooctylmethyl)piperazino]-6-fluoro-2-[(4-fluorobenzyl)thio]-1H-benzimidazole Formula: C27H34F2N4S MolecularWeight: 484.647466

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)CN2CCN(CC2)C3=C(C=C4C(=C3)N=C(N4)SCC5=CC=C(C=C5)F)F

Isomeric SMILES

C1CCCC(CCC1)CN2CCN(CC2)C3=C(C=C4C(=C3)N=C(N4)SCC5=CC=C(C=C5)F)F

InChI

InChI=1S/C27H34F2N4S/c28-22-10-8-21(9-11-22)19-34-27-30-24-16-23(29)26(17-25(24)31-27)33-14-12-32(13-15-33)18-20-6-4-2-1-3-5-7-20/h8-11,16-17,20H,1-7,12-15,18-19H2,(H,30,31)