butyl 4-[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-(1-isobutyl-4,5-dimethyl-imidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[4,5-dimethyl-1-(2-methylpropyl)-2-imidazolyl]thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1-isobutyl-4,5-dimethyl-imidazol-2-yl)thio]acetyl]amino]benzoic acid butyl ester Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C(N2CC(C)C)C)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C(N2CC(C)C)C)C

InChI

InChI=1S/C22H31N3O3S/c1-6-7-12-28-21(27)18-8-10-19(11-9-18)24-20(26)14-29-22-23-16(4)17(5)25(22)13-15(2)3/h8-11,15H,6-7,12-14H2,1-5H3,(H,24,26)