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

Systemtic Name: methyl 2-[2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-(1-isobutylbenzimidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[[1-(2-methylpropyl)-2-benzimidazolyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(1-isobutylbenzimidazol-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC(C)CN1C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C21H23N3O3S/c1-14(2)12-24-18-11-7-6-10-17(18)23-21(24)28-13-19(25)22-16-9-5-4-8-15(16)20(26)27-3/h4-11,14H,12-13H2,1-3H3,(H,22,25)