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

Systemtic Name: ethyl 4-[4-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]-3-[(4-fluorophenyl)methyl]-5-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]benzoate Openeye Name: ethyl 4-[4-[2-(4-chloroanilino)-2-oxo-ethyl]-3-[(4-fluorophenyl)methyl]-5-oxo-2-thioxo-imidazolidin-1-yl]benzoate CAS Name: 4-[4-[2-(4-chloroanilino)-2-oxoethyl]-3-[(4-fluorophenyl)methyl]-5-oxo-2-sulfanylidene-1-imidazolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-(4-chloroanilino)-2-oxoethyl]-3-[(4-fluorophenyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate Traditional Name: 4-[4-[2-(4-chloroanilino)-2-keto-ethyl]-3-(4-fluorobenzyl)-5-keto-2-thioxo-imidazolidin-1-yl]benzoic acid ethyl ester Formula: C27H23ClFN3O4S MolecularWeight: 540.005623

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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=C(C=C4)Cl

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=C(C=C4)Cl

InChI

InChI=1S/C27H23ClFN3O4S/c1-2-36-26(35)18-5-13-22(14-6-18)32-25(34)23(15-24(33)30-21-11-7-19(28)8-12-21)31(27(32)37)16-17-3-9-20(29)10-4-17/h3-14,23H,2,15-16H2,1H3,(H,30,33)