methyl 4-[[2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(1-isobutylbenzimidazol-2-yl)sulfanylacetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[[1-(2-methylpropyl)-2-benzimidazolyl]thio]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(1-isobutylbenzimidazol-2-yl)thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=CC=CC=C2N=C1SCC(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)CN1C2=CC=CC=C2N=C1SCC(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H25N3O3S/c1-15(2)13-25-19-7-5-4-6-18(19)24-22(25)29-14-20(26)23-12-16-8-10-17(11-9-16)21(27)28-3/h4-11,15H,12-14H2,1-3H3,(H,23,26)