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

Systemtic Name: methyl 4-[2-[3-benzamido-1-(4-fluorophenyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[3-benzamido-1-(4-fluorophenyl)-5-oxo-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[3-benzamido-1-(4-fluorophenyl)-5-oxo-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[3-benzamido-1-(4-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[3-benzamido-1-(4-fluorophenyl)-5-keto-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid methyl ester Formula: C26H21FN4O5S MolecularWeight: 520.532143

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)N2NC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2NC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H21FN4O5S/c1-36-25(35)17-7-11-19(12-8-17)28-22(32)15-21-24(34)30(20-13-9-18(27)10-14-20)26(37)31(21)29-23(33)16-5-3-2-4-6-16/h2-14,21H,15H2,1H3,(H,28,32)(H,29,33)