methyl 3-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethoxycarbonylamino]benzoate

Systemtic Name: methyl 3-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethoxycarbonylamino]benzoate Openeye Name: methyl 3-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethoxycarbonylamino]benzoate CAS Name: 3-[[2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methylphenyl]thio]ethoxy-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylphenyl]sulfanylethoxycarbonylamino]benzoate Traditional Name: 3-[2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methyl-phenyl]thio]ethoxycarbonylamino]benzoic acid methyl ester Formula: C26H25N3O4S2 MolecularWeight: 507.6244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCCOC(=O)NC2=CC=CC(=C2)C(=O)OC)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C=CC=C1SCCOC(=O)NC2=CC=CC(=C2)C(=O)OC)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C26H25N3O4S2/c1-17-19(16-35-25-28-21-10-3-4-11-22(21)29-25)8-6-12-23(17)34-14-13-33-26(31)27-20-9-5-7-18(15-20)24(30)32-2/h3-12,15H,13-14,16H2,1-2H3,(H,27,31)(H,28,29)