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

Systemtic Name: propan-2-yl 4-[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)OC(C)C)CC(C)C)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)OC(C)C)CC(C)C)C

InChI

InChI=1S/C21H29N3O3S/c1-13(2)11-24-16(6)15(5)22-21(24)28-12-19(25)23-18-9-7-17(8-10-18)20(26)27-14(3)4/h7-10,13-14H,11-12H2,1-6H3,(H,23,25)