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

Systemtic Name: S-[5-(5-methyl-1-propanoyl-benzimidazol-2-yl)carbonylsulfanylpentyl] 6-methyl-1-propanoyl-benzimidazole-2-carbothioate Openeye Name: S-[5-(5-methyl-1-propanoyl-benzimidazole-2-carbonyl)sulfanylpentyl] 6-methyl-1-propanoyl-benzimidazole-2-carbothioate CAS Name: 6-methyl-1-(1-oxopropyl)-2-benzimidazolecarbothioic acid S-[5-[[[5-methyl-1-(1-oxopropyl)-2-benzimidazolyl]-oxomethyl]thio]pentyl] ester IUPAC Name: S-[5-(5-methyl-1-propanoylbenzimidazole-2-carbonyl)sulfanylpentyl] 6-methyl-1-propanoylbenzimidazole-2-carbothioate Traditional Name: 6-methyl-1-propionyl-benzimidazole-2-carbothioic acid S-[5-[(5-methyl-1-propionyl-benzimidazole-2-carbonyl)thio]pentyl] ester Formula: C29H32N4O4S2 MolecularWeight: 564.71878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32N4O4S2/c1-5-24(34)32-22-13-11-18(3)16-21(22)31-27(32)29(37)39-15-9-7-8-14-38-28(36)26-30-20-12-10-19(4)17-23(20)33(26)25(35)6-2/h10-13,16-17H,5-9,14-15H2,1-4H3