methyl 4-[[2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[1-(2-isopropylphenyl)imidazol-2-yl]sulfanylacetyl]amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-[[1-(2-propan-2-ylphenyl)-2-imidazolyl]thio]ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(1-o-cumenylimidazol-2-yl)thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C=CN=C2SCC(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C=CN=C2SCC(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H25N3O3S/c1-16(2)19-6-4-5-7-20(19)26-13-12-24-23(26)30-15-21(27)25-14-17-8-10-18(11-9-17)22(28)29-3/h4-13,16H,14-15H2,1-3H3,(H,25,27)