propyl 4-[[3-(4-fluorophenyl)-2-methylsulfanyl-imidazol-4-yl]carbonylamino]benzoate

Systemtic Name: propyl 4-[[3-(4-fluorophenyl)-2-methylsulfanyl-imidazol-4-yl]carbonylamino]benzoate Openeye Name: propyl 4-[[3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carbonyl]amino]benzoate CAS Name: 4-[[[3-(4-fluorophenyl)-2-(methylthio)-4-imidazolyl]-oxomethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbonyl]amino]benzoate Traditional Name: 4-[[3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carbonyl]amino]benzoic acid propyl ester Formula: C21H20FN3O3S MolecularWeight: 413.465203

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CN=C(N2C3=CC=C(C=C3)F)SC

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CN=C(N2C3=CC=C(C=C3)F)SC

InChI

InChI=1S/C21H20FN3O3S/c1-3-12-28-20(27)14-4-8-16(9-5-14)24-19(26)18-13-23-21(29-2)25(18)17-10-6-15(22)7-11-17/h4-11,13H,3,12H2,1-2H3,(H,24,26)