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

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

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

InChI

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