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

Systemtic Name: ethyl 4-[2-[3-[(4-fluorophenyl)methyl]-5-oxidanylidene-1-phenethyl-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C29H28FN3O4S MolecularWeight: 533.613723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=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

CCOC(=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/C29H28FN3O4S/c1-2-37-28(36)22-10-14-24(15-11-22)31-26(34)18-25-27(35)32(17-16-20-6-4-3-5-7-20)29(38)33(25)19-21-8-12-23(30)13-9-21/h3-15,25H,2,16-19H2,1H3,(H,31,34)