S-[5-(1-octanoylbenzimidazol-2-yl)carbonylsulfanylpentyl] 1-octanoylbenzimidazole-2-carbothioate

Systemtic Name: S-[5-(1-octanoylbenzimidazol-2-yl)carbonylsulfanylpentyl] 1-octanoylbenzimidazole-2-carbothioate Openeye Name: S-[5-(1-octanoylbenzimidazole-2-carbonyl)sulfanylpentyl] 1-octanoylbenzimidazole-2-carbothioate CAS Name: 1-(1-oxooctyl)-2-benzimidazolecarbothioic acid S-[5-[[oxo-[1-(1-oxooctyl)-2-benzimidazolyl]methyl]thio]pentyl] ester IUPAC Name: S-[5-(1-octanoylbenzimidazole-2-carbonyl)sulfanylpentyl] 1-octanoylbenzimidazole-2-carbothioate Traditional Name: 1-caprylylbenzimidazole-2-carbothioic acid S-[5-[(1-caprylylbenzimidazole-2-carbonyl)thio]pentyl] ester Formula: C37H48N4O4S2 MolecularWeight: 676.93142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1C2=CC=CC=C2N=C1C(=O)SCCCCCSC(=O)C3=NC4=CC=CC=C4N3C(=O)CCCCCCC

Isomeric SMILES

CCCCCCCC(=O)N1C2=CC=CC=C2N=C1C(=O)SCCCCCSC(=O)C3=NC4=CC=CC=C4N3C(=O)CCCCCCC

InChI

InChI=1S/C37H48N4O4S2/c1-3-5-7-9-12-24-32(42)40-30-22-16-14-20-28(30)38-34(40)36(44)46-26-18-11-19-27-47-37(45)35-39-29-21-15-17-23-31(29)41(35)33(43)25-13-10-8-6-4-2/h14-17,20-23H,3-13,18-19,24-27H2,1-2H3