S-[5-[[6-(octanoylamino)-1H-benzimidazol-2-yl]carbonylsulfanyl]pentyl] 6-(octanoylamino)-1H-benzimidazole-2-carbothioate

Systemtic Name: S-[5-[[6-(octanoylamino)-1H-benzimidazol-2-yl]carbonylsulfanyl]pentyl] 6-(octanoylamino)-1H-benzimidazole-2-carbothioate Openeye Name: S-[5-[6-(octanoylamino)-1H-benzimidazole-2-carbonyl]sulfanylpentyl] 6-(octanoylamino)-1H-benzimidazole-2-carbothioate CAS Name: 6-(1-oxooctylamino)-1H-benzimidazole-2-carbothioic acid S-[5-[[oxo-[6-(1-oxooctylamino)-1H-benzimidazol-2-yl]methyl]thio]pentyl] ester IUPAC Name: S-[5-[6-(octanoylamino)-1H-benzimidazole-2-carbonyl]sulfanylpentyl] 6-(octanoylamino)-1H-benzimidazole-2-carbothioate Traditional Name: 6-(caprylylamino)-1H-benzimidazole-2-carbothioic acid S-[5-[[6-(caprylylamino)-1H-benzimidazole-2-carbonyl]thio]pentyl] ester Formula: C37H50N6O4S2 MolecularWeight: 706.9607

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1=CC2=C(C=C1)N=C(N2)C(=O)SCCCCCSC(=O)C3=NC4=C(N3)C=C(C=C4)NC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCC(=O)NC1=CC2=C(C=C1)N=C(N2)C(=O)SCCCCCSC(=O)C3=NC4=C(N3)C=C(C=C4)NC(=O)CCCCCCC

InChI

InChI=1S/C37H50N6O4S2/c1-3-5-7-9-12-16-32(44)38-26-18-20-28-30(24-26)42-34(40-28)36(46)48-22-14-11-15-23-49-37(47)35-41-29-21-19-27(25-31(29)43-35)39-33(45)17-13-10-8-6-4-2/h18-21,24-25H,3-17,22-23H2,1-2H3,(H,38,44)(H,39,45)(H,40,42)(H,41,43)