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

Systemtic Name: ethyl 4-[4-(2-azanyl-2-oxidanylidene-ethyl)-3-[(3-fluorophenyl)carbonylamino]-5-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]benzoate Openeye Name: ethyl 4-[4-(2-amino-2-oxo-ethyl)-3-[(3-fluorobenzoyl)amino]-5-oxo-2-thioxo-imidazolidin-1-yl]benzoate CAS Name: 4-[4-(2-amino-2-oxoethyl)-3-[[(3-fluorophenyl)-oxomethyl]amino]-5-oxo-2-sulfanylidene-1-imidazolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-amino-2-oxoethyl)-3-[(3-fluorobenzoyl)amino]-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate Traditional Name: 4-[4-(2-amino-2-keto-ethyl)-3-[(3-fluorobenzoyl)amino]-5-keto-2-thioxo-imidazolidin-1-yl]benzoic acid ethyl ester Formula: C21H19FN4O5S MolecularWeight: 458.462763

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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(=CC=C3)F)CC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C21H19FN4O5S/c1-2-31-20(30)12-6-8-15(9-7-12)25-19(29)16(11-17(23)27)26(21(25)32)24-18(28)13-4-3-5-14(22)10-13/h3-10,16H,2,11H2,1H3,(H2,23,27)(H,24,28)