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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(N(C2=S)CC3=CC=C(C=C3)F)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(N(C2=S)CC3=CC=C(C=C3)F)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C27H24FN3O4S/c1-2-35-26(34)19-10-14-22(15-11-19)31-25(33)23(16-24(32)29-21-6-4-3-5-7-21)30(27(31)36)17-18-8-12-20(28)13-9-18/h3-15,23H,2,16-17H2,1H3,(H,29,32)