4-[2-[4-[2-(4-methoxy-3-oxidanyl-phenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazole-2-thione

Systemtic Name: 4-[2-[4-[2-(4-methoxy-3-oxidanyl-phenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazole-2-thione Openeye Name: 4-[2-[4-[2-(3-hydroxy-4-methoxy-phenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazole-2-thione CAS Name: 4-[2-[4-[2-(3-hydroxy-4-methoxyphenyl)-1H-benzimidazol-4-yl]-1-piperazinyl]ethoxy]-1,3-dihydrobenzimidazole-2-thione IUPAC Name: 4-[2-[4-[2-(3-hydroxy-4-methoxyphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazole-2-thione Traditional Name: 4-[2-[4-[2-(3-hydroxy-4-methoxy-phenyl)-1H-benzimidazol-4-yl]piperazino]ethoxy]-1,3-dihydrobenzimidazole-2-thione Formula: C27H28N6O3S MolecularWeight: 516.61462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(N2)C=CC=C3N4CCN(CC4)CCOC5=CC=CC6=C5NC(=S)N6)O

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(N2)C=CC=C3N4CCN(CC4)CCOC5=CC=CC6=C5NC(=S)N6)O

InChI

InChI=1S/C27H28N6O3S/c1-35-22-9-8-17(16-21(22)34)26-28-18-4-2-6-20(24(18)30-26)33-12-10-32(11-13-33)14-15-36-23-7-3-5-19-25(23)31-27(37)29-19/h2-9,16,34H,10-15H2,1H3,(H,28,30)(H2,29,31,37)