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

Systemtic Name: methyl 4-[2-[(4S)-1-(4-fluorophenyl)-5-oxidanylidene-3-phenethyl-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(4S)-1-(4-fluorophenyl)-5-oxo-3-phenethyl-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[(4S)-1-(4-fluorophenyl)-5-oxo-3-phenethyl-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4S)-1-(4-fluorophenyl)-5-oxo-3-phenethyl-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4S)-1-(4-fluorophenyl)-5-keto-3-phenethyl-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid methyl ester Formula: C27H24FN3O4S MolecularWeight: 505.560563

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCC3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C[C@H]2C(=O)N(C(=S)N2CCC3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H24FN3O4S/c1-35-26(34)19-7-11-21(12-8-19)29-24(32)17-23-25(33)31(22-13-9-20(28)10-14-22)27(36)30(23)16-15-18-5-3-2-4-6-18/h2-14,23H,15-17H2,1H3,(H,29,32)/t23-/m0/s1