S-[6-(1-propanoylbenzimidazol-2-yl)carbonylsulfanylhexyl] 1-propanoylbenzimidazole-2-carbothioate

Systemtic Name: S-[6-(1-propanoylbenzimidazol-2-yl)carbonylsulfanylhexyl] 1-propanoylbenzimidazole-2-carbothioate Openeye Name: S-[6-(1-propanoylbenzimidazole-2-carbonyl)sulfanylhexyl] 1-propanoylbenzimidazole-2-carbothioate CAS Name: 1-(1-oxopropyl)-2-benzimidazolecarbothioic acid S-[6-[[oxo-[1-(1-oxopropyl)-2-benzimidazolyl]methyl]thio]hexyl] ester IUPAC Name: S-[6-(1-propanoylbenzimidazole-2-carbonyl)sulfanylhexyl] 1-propanoylbenzimidazole-2-carbothioate Traditional Name: 1-propionylbenzimidazole-2-carbothioic acid S-[6-[(1-propionylbenzimidazole-2-carbonyl)thio]hexyl] ester Formula: C28H30N4O4S2 MolecularWeight: 550.6922

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C2=CC=CC=C2N=C1C(=O)SCCCCCCSC(=O)C3=NC4=CC=CC=C4N3C(=O)CC

Isomeric SMILES

CCC(=O)N1C2=CC=CC=C2N=C1C(=O)SCCCCCCSC(=O)C3=NC4=CC=CC=C4N3C(=O)CC

InChI

InChI=1S/C28H30N4O4S2/c1-3-23(33)31-21-15-9-7-13-19(21)29-25(31)27(35)37-17-11-5-6-12-18-38-28(36)26-30-20-14-8-10-16-22(20)32(26)24(34)4-2/h7-10,13-16H,3-6,11-12,17-18H2,1-2H3