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

Systemtic Name: methyl 4-[2-[3-[(4-fluorophenyl)methyl]-5-oxidanylidene-1-phenethyl-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[3-[(4-fluorophenyl)methyl]-5-oxo-1-phenethyl-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[3-[(4-fluorophenyl)methyl]-5-oxo-1-phenethyl-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[3-[(4-fluorophenyl)methyl]-5-oxo-1-phenethyl-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[3-(4-fluorobenzyl)-5-keto-1-phenethyl-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid methyl ester Formula: C28H26FN3O4S MolecularWeight: 519.587143

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)CCC4=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)CCC4=CC=CC=C4

InChI

InChI=1S/C28H26FN3O4S/c1-36-27(35)21-9-13-23(14-10-21)30-25(33)17-24-26(34)31(16-15-19-5-3-2-4-6-19)28(37)32(24)18-20-7-11-22(29)12-8-20/h2-14,24H,15-18H2,1H3,(H,30,33)