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

Systemtic Name: methyl 4-[2-[1-ethyl-3-[(4-fluorophenyl)methyl]-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[1-ethyl-3-[(4-fluorophenyl)methyl]-5-oxo-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[1-ethyl-3-[(4-fluorophenyl)methyl]-5-oxo-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[1-ethyl-3-[(4-fluorophenyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[1-ethyl-3-(4-fluorobenzyl)-5-keto-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid methyl ester Formula: C22H22FN3O4S MolecularWeight: 443.491183

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(N(C1=S)CC2=CC=C(C=C2)F)CC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCN1C(=O)C(N(C1=S)CC2=CC=C(C=C2)F)CC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H22FN3O4S/c1-3-25-20(28)18(26(22(25)31)13-14-4-8-16(23)9-5-14)12-19(27)24-17-10-6-15(7-11-17)21(29)30-2/h4-11,18H,3,12-13H2,1-2H3,(H,24,27)