S-[4-(1-propanoylbenzimidazol-2-yl)carbonylsulfanylbutyl] 1-propanoylbenzimidazole-2-carbothioate

Systemtic Name: S-[4-(1-propanoylbenzimidazol-2-yl)carbonylsulfanylbutyl] 1-propanoylbenzimidazole-2-carbothioate Openeye Name: S-[4-(1-propanoylbenzimidazole-2-carbonyl)sulfanylbutyl] 1-propanoylbenzimidazole-2-carbothioate CAS Name: 1-(1-oxopropyl)-2-benzimidazolecarbothioic acid S-[4-[[oxo-[1-(1-oxopropyl)-2-benzimidazolyl]methyl]thio]butyl] ester IUPAC Name: S-[4-(1-propanoylbenzimidazole-2-carbonyl)sulfanylbutyl] 1-propanoylbenzimidazole-2-carbothioate Traditional Name: 1-propionylbenzimidazole-2-carbothioic acid S-[4-[(1-propionylbenzimidazole-2-carbonyl)thio]butyl] ester Formula: C26H26N4O4S2 MolecularWeight: 522.63904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O4S2/c1-3-21(31)29-19-13-7-5-11-17(19)27-23(29)25(33)35-15-9-10-16-36-26(34)24-28-18-12-6-8-14-20(18)30(24)22(32)4-2/h5-8,11-14H,3-4,9-10,15-16H2,1-2H3