S-[8-(1-propanoylbenzimidazol-2-yl)carbonylsulfanyloctyl] 1-propanoylbenzimidazole-2-carbothioate

Systemtic Name: S-[8-(1-propanoylbenzimidazol-2-yl)carbonylsulfanyloctyl] 1-propanoylbenzimidazole-2-carbothioate Openeye Name: S-[8-(1-propanoylbenzimidazole-2-carbonyl)sulfanyloctyl] 1-propanoylbenzimidazole-2-carbothioate CAS Name: 1-(1-oxopropyl)-2-benzimidazolecarbothioic acid S-[8-[[oxo-[1-(1-oxopropyl)-2-benzimidazolyl]methyl]thio]octyl] ester IUPAC Name: S-[8-(1-propanoylbenzimidazole-2-carbonyl)sulfanyloctyl] 1-propanoylbenzimidazole-2-carbothioate Traditional Name: 1-propionylbenzimidazole-2-carbothioic acid S-[8-[(1-propionylbenzimidazole-2-carbonyl)thio]octyl] ester Formula: C30H34N4O4S2 MolecularWeight: 578.74536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H34N4O4S2/c1-3-25(35)33-23-17-11-9-15-21(23)31-27(33)29(37)39-19-13-7-5-6-8-14-20-40-30(38)28-32-22-16-10-12-18-24(22)34(28)26(36)4-2/h9-12,15-18H,3-8,13-14,19-20H2,1-2H3