S-[5-[(4-octyl-1H-benzimidazol-2-yl)carbonylsulfanyl]pentyl] 4-octyl-1H-benzimidazole-2-carbothioate

Systemtic Name: S-[5-[(4-octyl-1H-benzimidazol-2-yl)carbonylsulfanyl]pentyl] 4-octyl-1H-benzimidazole-2-carbothioate Openeye Name: S-[5-(4-octyl-1H-benzimidazole-2-carbonyl)sulfanylpentyl] 4-octyl-1H-benzimidazole-2-carbothioate CAS Name: 4-octyl-1H-benzimidazole-2-carbothioic acid S-[5-[[(4-octyl-1H-benzimidazol-2-yl)-oxomethyl]thio]pentyl] ester IUPAC Name: S-[5-(4-octyl-1H-benzimidazole-2-carbonyl)sulfanylpentyl] 4-octyl-1H-benzimidazole-2-carbothioate Traditional Name: 4-octyl-1H-benzimidazole-2-carbothioic acid S-[5-[(4-octyl-1H-benzimidazole-2-carbonyl)thio]pentyl] ester Formula: C37H52N4O2S2 MolecularWeight: 648.96438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C2C(=CC=C1)NC(=N2)C(=O)SCCCCCSC(=O)C3=NC4=C(C=CC=C4N3)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1=C2C(=CC=C1)NC(=N2)C(=O)SCCCCCSC(=O)C3=NC4=C(C=CC=C4N3)CCCCCCCC

InChI

InChI=1S/C37H52N4O2S2/c1-3-5-7-9-11-14-20-28-22-18-24-30-32(28)40-34(38-30)36(42)44-26-16-13-17-27-45-37(43)35-39-31-25-19-23-29(33(31)41-35)21-15-12-10-8-6-4-2/h18-19,22-25H,3-17,20-21,26-27H2,1-2H3,(H,38,40)(H,39,41)