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

Systemtic Name: methyl 4-[2-[1-(4-ethoxycarbonylphenyl)-5-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[3-benzyl-1-(4-ethoxycarbonylphenyl)-5-oxo-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[1-(4-ethoxycarbonylphenyl)-5-oxo-3-(phenylmethyl)-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[3-benzyl-1-(4-ethoxycarbonylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[3-benzyl-1-(4-carbethoxyphenyl)-5-keto-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid methyl ester Formula: C29H27N3O6S MolecularWeight: 545.60618

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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=CC=C3)CC(=O)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C29H27N3O6S/c1-3-38-28(36)21-11-15-23(16-12-21)32-26(34)24(31(29(32)39)18-19-7-5-4-6-8-19)17-25(33)30-22-13-9-20(10-14-22)27(35)37-2/h4-16,24H,3,17-18H2,1-2H3,(H,30,33)