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

Systemtic Name: ethyl 4-[5-oxidanylidene-4-(2-oxidanylidene-2-phenylazanyl-ethyl)-3-(phenylmethyl)-2-sulfanylidene-imidazolidin-1-yl]benzoate Openeye Name: ethyl 4-[4-(2-anilino-2-oxo-ethyl)-3-benzyl-5-oxo-2-thioxo-imidazolidin-1-yl]benzoate CAS Name: 4-[4-(2-anilino-2-oxoethyl)-5-oxo-3-(phenylmethyl)-2-sulfanylidene-1-imidazolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-anilino-2-oxoethyl)-3-benzyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate Traditional Name: 4-[4-(2-anilino-2-keto-ethyl)-3-benzyl-5-keto-2-thioxo-imidazolidin-1-yl]benzoic acid ethyl ester Formula: C27H25N3O4S MolecularWeight: 487.5701

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O4S/c1-2-34-26(33)20-13-15-22(16-14-20)30-25(32)23(17-24(31)28-21-11-7-4-8-12-21)29(27(30)35)18-19-9-5-3-6-10-19/h3-16,23H,2,17-18H2,1H3,(H,28,31)