ethyl 4-[4-(2-azanyl-2-oxidanylidene-ethyl)-3-[(4-methoxyphenyl)carbonylamino]-5-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]benzoate

Systemtic Name: ethyl 4-[4-(2-azanyl-2-oxidanylidene-ethyl)-3-[(4-methoxyphenyl)carbonylamino]-5-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]benzoate Openeye Name: ethyl 4-[4-(2-amino-2-oxo-ethyl)-3-[(4-methoxybenzoyl)amino]-5-oxo-2-thioxo-imidazolidin-1-yl]benzoate CAS Name: 4-[4-(2-amino-2-oxoethyl)-3-[[(4-methoxyphenyl)-oxomethyl]amino]-5-oxo-2-sulfanylidene-1-imidazolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-amino-2-oxoethyl)-3-[(4-methoxybenzoyl)amino]-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate Traditional Name: 4-[4-(2-amino-2-keto-ethyl)-5-keto-3-(p-anisoylamino)-2-thioxo-imidazolidin-1-yl]benzoic acid ethyl ester Formula: C22H22N4O6S MolecularWeight: 470.49828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(N(C2=S)NC(=O)C3=CC=C(C=C3)OC)CC(=O)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(N(C2=S)NC(=O)C3=CC=C(C=C3)OC)CC(=O)N

InChI

InChI=1S/C22H22N4O6S/c1-3-32-21(30)14-4-8-15(9-5-14)25-20(29)17(12-18(23)27)26(22(25)33)24-19(28)13-6-10-16(31-2)11-7-13/h4-11,17H,3,12H2,1-2H3,(H2,23,27)(H,24,28)