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

Systemtic Name: 6-fluoranyl-2-[(4-fluorophenyl)methylsulfanyl]-5-[4-(phenylmethyl)piperazin-1-yl]-1H-benzimidazole Openeye Name: 5-(4-benzylpiperazin-1-yl)-6-fluoro-2-[(4-fluorophenyl)methylsulfanyl]-1H-benzimidazole CAS Name: 6-fluoro-2-[(4-fluorophenyl)methylthio]-5-[4-(phenylmethyl)-1-piperazinyl]-1H-benzimidazole IUPAC Name: 5-(4-benzylpiperazin-1-yl)-6-fluoro-2-[(4-fluorophenyl)methylsulfanyl]-1H-benzimidazole Traditional Name: 5-(4-benzylpiperazino)-6-fluoro-2-[(4-fluorobenzyl)thio]-1H-benzimidazole Formula: C25H24F2N4S MolecularWeight: 450.546666

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=C4C(=C3)N=C(N4)SCC5=CC=C(C=C5)F)F

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=C4C(=C3)N=C(N4)SCC5=CC=C(C=C5)F)F

InChI

InChI=1S/C25H24F2N4S/c26-20-8-6-19(7-9-20)17-32-25-28-22-14-21(27)24(15-23(22)29-25)31-12-10-30(11-13-31)16-18-4-2-1-3-5-18/h1-9,14-15H,10-13,16-17H2,(H,28,29)