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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N2CC(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N2CC(C)C

InChI

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