methyl 4-[[[3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazol-4-yl]carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[[3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazol-4-yl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[3-(4-fluorophenyl)-2-thioxo-1H-imidazole-4-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[[3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazol-4-yl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[3-(4-fluorophenyl)-2-thioxo-4-imidazoline-4-carbonyl]amino]methyl]benzoic acid methyl ester Formula: C19H16FN3O3S MolecularWeight: 385.412043

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=CNC(=S)N2C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=CNC(=S)N2C3=CC=C(C=C3)F

InChI

InChI=1S/C19H16FN3O3S/c1-26-18(25)13-4-2-12(3-5-13)10-21-17(24)16-11-22-19(27)23(16)15-8-6-14(20)7-9-15/h2-9,11H,10H2,1H3,(H,21,24)(H,22,27)