ethyl 4-[4-[2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-3-phenethyl-2-sulfanylidene-imidazolidin-1-yl]benzoate

Systemtic Name: ethyl 4-[4-[2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-3-phenethyl-2-sulfanylidene-imidazolidin-1-yl]benzoate Openeye Name: ethyl 4-[4-[2-(4-iodoanilino)-2-oxo-ethyl]-5-oxo-3-phenethyl-2-thioxo-imidazolidin-1-yl]benzoate CAS Name: 4-[4-[2-(4-iodoanilino)-2-oxoethyl]-5-oxo-3-phenethyl-2-sulfanylidene-1-imidazolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-(4-iodoanilino)-2-oxoethyl]-5-oxo-3-phenethyl-2-sulfanylideneimidazolidin-1-yl]benzoate Traditional Name: 4-[4-[2-(4-iodoanilino)-2-keto-ethyl]-5-keto-3-phenethyl-2-thioxo-imidazolidin-1-yl]benzoic acid ethyl ester Formula: C28H26IN3O4S MolecularWeight: 627.49321

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(N(C2=S)CCC3=CC=CC=C3)CC(=O)NC4=CC=C(C=C4)I

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(N(C2=S)CCC3=CC=CC=C3)CC(=O)NC4=CC=C(C=C4)I

InChI

InChI=1S/C28H26IN3O4S/c1-2-36-27(35)20-8-14-23(15-9-20)32-26(34)24(18-25(33)30-22-12-10-21(29)11-13-22)31(28(32)37)17-16-19-6-4-3-5-7-19/h3-15,24H,2,16-18H2,1H3,(H,30,33)