S-[5-[(5-methyl-4-propanoyl-1H-benzimidazol-2-yl)carbonylsulfanyl]pentyl] 6-methyl-1-propanoyl-benzimidazole-2-carbothioate

Systemtic Name: S-[5-[(5-methyl-4-propanoyl-1H-benzimidazol-2-yl)carbonylsulfanyl]pentyl] 6-methyl-1-propanoyl-benzimidazole-2-carbothioate Openeye Name: S-[5-(5-methyl-4-propanoyl-1H-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-4-(1-oxopropyl)-1H-benzimidazol-2-yl]-oxomethyl]thio]pentyl] ester IUPAC Name: S-[5-(5-methyl-4-propanoyl-1H-benzimidazole-2-carbonyl)sulfanylpentyl] 6-methyl-1-propanoylbenzimidazole-2-carbothioate Traditional Name: 6-methyl-1-propionyl-benzimidazole-2-carbothioic acid S-[5-[(5-methyl-4-propionyl-1H-benzimidazole-2-carbonyl)thio]pentyl] ester Formula: C29H32N4O4S2 MolecularWeight: 564.71878

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C=CC2=C1N=C(N2)C(=O)SCCCCCSC(=O)C3=NC4=C(N3C(=O)CC)C=C(C=C4)C)C

Isomeric SMILES

CCC(=O)C1=C(C=CC2=C1N=C(N2)C(=O)SCCCCCSC(=O)C3=NC4=C(N3C(=O)CC)C=C(C=C4)C)C

InChI

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