S-[5-[1-(2-ethylhexyl)benzimidazol-2-yl]carbonylsulfanylpentyl] 1-(2-ethylhexyl)benzimidazole-2-carbothioate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CN1C2=CC=CC=C2N=C1C(=O)SCCCCCSC(=O)C3=NC4=CC=CC=C4N3CC(CC)CCCC

Isomeric SMILES

CCCCC(CC)CN1C2=CC=CC=C2N=C1C(=O)SCCCCCSC(=O)C3=NC4=CC=CC=C4N3CC(CC)CCCC

InChI

InChI=1S/C37H52N4O2S2/c1-5-9-18-28(7-3)26-40-32-22-14-12-20-30(32)38-34(40)36(42)44-24-16-11-17-25-45-37(43)35-39-31-21-13-15-23-33(31)41(35)27-29(8-4)19-10-6-2/h12-15,20-23,28-29H,5-11,16-19,24-27H2,1-4H3