S-[5-(5-cyano-1-propanoyl-benzimidazol-2-yl)carbonylsulfanylpentyl] 6-cyano-1-propanoyl-benzimidazole-2-carbothioate

Systemtic Name: S-[5-(5-cyano-1-propanoyl-benzimidazol-2-yl)carbonylsulfanylpentyl] 6-cyano-1-propanoyl-benzimidazole-2-carbothioate Openeye Name: S-[5-(5-cyano-1-propanoyl-benzimidazole-2-carbonyl)sulfanylpentyl] 6-cyano-1-propanoyl-benzimidazole-2-carbothioate CAS Name: 6-cyano-1-(1-oxopropyl)-2-benzimidazolecarbothioic acid S-[5-[[[5-cyano-1-(1-oxopropyl)-2-benzimidazolyl]-oxomethyl]thio]pentyl] ester IUPAC Name: S-[5-(5-cyano-1-propanoylbenzimidazole-2-carbonyl)sulfanylpentyl] 6-cyano-1-propanoylbenzimidazole-2-carbothioate Traditional Name: 6-cyano-1-propionyl-benzimidazole-2-carbothioic acid S-[5-[(5-cyano-1-propionyl-benzimidazole-2-carbonyl)thio]pentyl] ester Formula: C29H26N6O4S2 MolecularWeight: 586.68454

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C2=C(C=C(C=C2)C#N)N=C1C(=O)SCCCCCSC(=O)C3=NC4=C(N3C(=O)CC)C=C(C=C4)C#N

Isomeric SMILES

CCC(=O)N1C2=C(C=C(C=C2)C#N)N=C1C(=O)SCCCCCSC(=O)C3=NC4=C(N3C(=O)CC)C=C(C=C4)C#N

InChI

InChI=1S/C29H26N6O4S2/c1-3-24(36)34-22-11-9-18(16-30)14-21(22)33-27(34)29(39)41-13-7-5-6-12-40-28(38)26-32-20-10-8-19(17-31)15-23(20)35(26)25(37)4-2/h8-11,14-15H,3-7,12-13H2,1-2H3