ethyl 4-[2-[3-[(3,4-dimethoxyphenyl)methyl]-5-oxidanylidene-1-phenyl-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-[(3,4-dimethoxyphenyl)methyl]-5-oxidanylidene-1-phenyl-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[3-[(3,4-dimethoxyphenyl)methyl]-5-oxo-1-phenyl-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[3-[(3,4-dimethoxyphenyl)methyl]-5-oxo-1-phenyl-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-[(3,4-dimethoxyphenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-(5-keto-1-phenyl-2-thioxo-3-veratryl-imidazolidin-4-yl)acetyl]amino]benzoic acid ethyl ester Formula: C29H29N3O6S MolecularWeight: 547.62206

Click to see the large picture

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)OC)OC)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4

InChI

InChI=1S/C29H29N3O6S/c1-4-38-28(35)20-11-13-21(14-12-20)30-26(33)17-23-27(34)32(22-8-6-5-7-9-22)29(39)31(23)18-19-10-15-24(36-2)25(16-19)37-3/h5-16,23H,4,17-18H2,1-3H3,(H,30,33)