methyl 4-methyl-3-[2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 3-[[2-(1-isobutylbenzimidazol-2-yl)sulfanylacetyl]amino]-4-methyl-benzoate CAS Name: 4-methyl-3-[[2-[[1-(2-methylpropyl)-2-benzimidazolyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(1-isobutylbenzimidazol-2-yl)thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC3=CC=CC=C3N2CC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC3=CC=CC=C3N2CC(C)C

InChI

InChI=1S/C22H25N3O3S/c1-14(2)12-25-19-8-6-5-7-17(19)24-22(25)29-13-20(26)23-18-11-16(21(27)28-4)10-9-15(18)3/h5-11,14H,12-13H2,1-4H3,(H,23,26)