methyl 4-[2-[1-ethyl-3-[(3-fluorophenyl)carbonylamino]-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[1-ethyl-3-[(3-fluorophenyl)carbonylamino]-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[1-ethyl-3-[(3-fluorobenzoyl)amino]-5-oxo-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[1-ethyl-3-[[(3-fluorophenyl)-oxomethyl]amino]-5-oxo-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[1-ethyl-3-[(3-fluorobenzoyl)amino]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[1-ethyl-3-[(3-fluorobenzoyl)amino]-5-keto-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid methyl ester Formula: C22H21FN4O5S MolecularWeight: 472.489343

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(N(C1=S)NC(=O)C2=CC(=CC=C2)F)CC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCN1C(=O)C(N(C1=S)NC(=O)C2=CC(=CC=C2)F)CC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H21FN4O5S/c1-3-26-20(30)17(12-18(28)24-16-9-7-13(8-10-16)21(31)32-2)27(22(26)33)25-19(29)14-5-4-6-15(23)11-14/h4-11,17H,3,12H2,1-2H3,(H,24,28)(H,25,29)