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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CC=C(C=C3)F)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CC=C(C=C3)F)CC4=CC=CC=C4

InChI

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