S-[5-[1-(2-phenylethanoyl)benzimidazol-2-yl]carbonylsulfanylpentyl] 1-(2-phenylethanoyl)benzimidazole-2-carbothioate

Systemtic Name: S-[5-[1-(2-phenylethanoyl)benzimidazol-2-yl]carbonylsulfanylpentyl] 1-(2-phenylethanoyl)benzimidazole-2-carbothioate Openeye Name: S-[5-[1-(2-phenylacetyl)benzimidazole-2-carbonyl]sulfanylpentyl] 1-(2-phenylacetyl)benzimidazole-2-carbothioate CAS Name: 1-(1-oxo-2-phenylethyl)-2-benzimidazolecarbothioic acid S-[5-[[oxo-[1-(1-oxo-2-phenylethyl)-2-benzimidazolyl]methyl]thio]pentyl] ester IUPAC Name: S-[5-[1-(2-phenylacetyl)benzimidazole-2-carbonyl]sulfanylpentyl] 1-(2-phenylacetyl)benzimidazole-2-carbothioate Traditional Name: 1-(2-phenylacetyl)benzimidazole-2-carbothioic acid S-[5-[[1-(2-phenylacetyl)benzimidazole-2-carbonyl]thio]pentyl] ester Formula: C37H32N4O4S2 MolecularWeight: 660.80438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)N2C3=CC=CC=C3N=C2C(=O)SCCCCCSC(=O)C4=NC5=CC=CC=C5N4C(=O)CC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)N2C3=CC=CC=C3N=C2C(=O)SCCCCCSC(=O)C4=NC5=CC=CC=C5N4C(=O)CC6=CC=CC=C6

InChI

InChI=1S/C37H32N4O4S2/c42-32(24-26-14-4-1-5-15-26)40-30-20-10-8-18-28(30)38-34(40)36(44)46-22-12-3-13-23-47-37(45)35-39-29-19-9-11-21-31(29)41(35)33(43)25-27-16-6-2-7-17-27/h1-2,4-11,14-21H,3,12-13,22-25H2