methyl 4-[2-[5-(4-fluorophenyl)-1-propyl-imidazol-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[5-(4-fluorophenyl)-1-propyl-imidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[5-(4-fluorophenyl)-1-propyl-imidazol-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[5-(4-fluorophenyl)-1-propyl-2-imidazolyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[5-(4-fluorophenyl)-1-propylimidazol-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[5-(4-fluorophenyl)-1-propyl-imidazol-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C22H22FN3O3S MolecularWeight: 427.491783

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC)C3=CC=C(C=C3)F

Isomeric SMILES

CCCN1C(=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H22FN3O3S/c1-3-12-26-19(15-4-8-17(23)9-5-15)13-24-22(26)30-14-20(27)25-18-10-6-16(7-11-18)21(28)29-2/h4-11,13H,3,12,14H2,1-2H3,(H,25,27)