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

Systemtic Name: ethyl 4-[5-oxidanylidene-4-(2-oxidanylidene-2-phenylazanyl-ethyl)-3-phenethyl-2-sulfanylidene-imidazolidin-1-yl]benzoate Openeye Name: ethyl 4-[4-(2-anilino-2-oxo-ethyl)-5-oxo-3-phenethyl-2-thioxo-imidazolidin-1-yl]benzoate CAS Name: 4-[4-(2-anilino-2-oxoethyl)-5-oxo-3-phenethyl-2-sulfanylidene-1-imidazolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-anilino-2-oxoethyl)-5-oxo-3-phenethyl-2-sulfanylideneimidazolidin-1-yl]benzoate Traditional Name: 4-[4-(2-anilino-2-keto-ethyl)-5-keto-3-phenethyl-2-thioxo-imidazolidin-1-yl]benzoic acid ethyl ester Formula: C28H27N3O4S MolecularWeight: 501.59668

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H27N3O4S/c1-2-35-27(34)21-13-15-23(16-14-21)31-26(33)24(19-25(32)29-22-11-7-4-8-12-22)30(28(31)36)18-17-20-9-5-3-6-10-20/h3-16,24H,2,17-19H2,1H3,(H,29,32)