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

Systemtic Name: methyl 4-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[(1-isobutylbenzimidazol-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[[1-(2-methylpropyl)-2-benzimidazolyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[(1-isobutylbenzimidazol-2-yl)thio]methyl]benzoic acid methyl ester Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)CN1C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H22N2O2S/c1-14(2)12-22-18-7-5-4-6-17(18)21-20(22)25-13-15-8-10-16(11-9-15)19(23)24-3/h4-11,14H,12-13H2,1-3H3