S-[1-[4-[1-(1H-benzimidazol-2-ylcarbonylsulfanyl)-2-oxidanylidene-butyl]phenyl]-2-oxidanylidene-butyl] 1H-benzimidazole-2-carbothioate

Systemtic Name: S-[1-[4-[1-(1H-benzimidazol-2-ylcarbonylsulfanyl)-2-oxidanylidene-butyl]phenyl]-2-oxidanylidene-butyl] 1H-benzimidazole-2-carbothioate Openeye Name: S-[1-[4-[1-(1H-benzimidazole-2-carbonylsulfanyl)-2-oxo-butyl]phenyl]-2-oxo-butyl] 1H-benzimidazole-2-carbothioate CAS Name: 1H-benzimidazole-2-carbothioic acid S-[1-[4-[1-[[1H-benzimidazol-2-yl(oxo)methyl]thio]-2-oxobutyl]phenyl]-2-oxobutyl] ester IUPAC Name: S-[1-[4-[1-(1H-benzimidazole-2-carbonylsulfanyl)-2-oxobutyl]phenyl]-2-oxobutyl] 1H-benzimidazole-2-carbothioate Traditional Name: 1H-benzimidazole-2-carbothioic acid S-[1-[4-[1-(1H-benzimidazole-2-carbonylthio)-2-keto-butyl]phenyl]-2-keto-butyl] ester Formula: C30H26N4O4S2 MolecularWeight: 570.68184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C1=CC=C(C=C1)C(C(=O)CC)SC(=O)C2=NC3=CC=CC=C3N2)SC(=O)C4=NC5=CC=CC=C5N4

Isomeric SMILES

CCC(=O)C(C1=CC=C(C=C1)C(C(=O)CC)SC(=O)C2=NC3=CC=CC=C3N2)SC(=O)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C30H26N4O4S2/c1-3-23(35)25(39-29(37)27-31-19-9-5-6-10-20(19)32-27)17-13-15-18(16-14-17)26(24(36)4-2)40-30(38)28-33-21-11-7-8-12-22(21)34-28/h5-16,25-26H,3-4H2,1-2H3,(H,31,32)(H,33,34)