3-acetamido-5-[[1-(4-ethoxyphenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]benzoate

Systemtic Name: 3-acetamido-5-[[1-(4-ethoxyphenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]benzoate Openeye Name: 3-acetamido-5-[[1-(4-ethoxyphenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene]methylamino]benzoate CAS Name: 3-acetamido-5-[[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]benzoate IUPAC Name: 3-acetamido-5-[[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]benzoate Traditional Name: 3-acetamido-5-[(4,6-diketo-1-p-phenetyl-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]benzoate Formula: C22H19N4O6S- MolecularWeight: 467.47446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C(=CNC3=CC(=CC(=C3)C(=O)[O-])NC(=O)C)C(=O)NC2=S

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C(=CNC3=CC(=CC(=C3)C(=O)[O-])NC(=O)C)C(=O)NC2=S

InChI

InChI=1S/C22H20N4O6S/c1-3-32-17-6-4-16(5-7-17)26-20(29)18(19(28)25-22(26)33)11-23-14-8-13(21(30)31)9-15(10-14)24-12(2)27/h4-11,23H,3H2,1-2H3,(H,24,27)(H,30,31)(H,25,28,33)/p-1