3-[5-[(Z)-[1-(4-bromophenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoate

Systemtic Name: 3-[5-[(Z)-[1-(4-bromophenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoate Openeye Name: 3-[5-[(Z)-[1-(4-bromophenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]-2-furyl]benzoate CAS Name: 3-[5-[(Z)-[1-(4-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-furanyl]benzoate IUPAC Name: 3-[5-[(Z)-[1-(4-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoate Traditional Name: 3-[5-[(Z)-[1-(4-bromophenyl)-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]-2-furyl]benzoate Formula: C22H12BrN2O5S- MolecularWeight: 496.31008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)[O-])C2=CC=C(O2)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)[O-])C2=CC=C(O2)/C=C\3/C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H13BrN2O5S/c23-14-4-6-15(7-5-14)25-20(27)17(19(26)24-22(25)31)11-16-8-9-18(30-16)12-2-1-3-13(10-12)21(28)29/h1-11H,(H,28,29)(H,24,26,31)/p-1/b17-11-