3-[5-[[5-bromanyl-2-[(4-bromophenyl)methoxy]phenyl]methylidene]-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid

Systemtic Name: 3-[5-[[5-bromanyl-2-[(4-bromophenyl)methoxy]phenyl]methylidene]-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Openeye Name: 3-[5-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methylene]-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid CAS Name: 3-[5-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid IUPAC Name: 3-[5-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Traditional Name: 3-[5-[5-bromo-2-(4-bromobenzyl)oxy-benzylidene]-4,6-diketo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid Formula: C25H16Br2N2O5S MolecularWeight: 616.27794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=O)C(=CC3=C(C=CC(=C3)Br)OCC4=CC=C(C=C4)Br)C(=O)NC2=S)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=O)C(=CC3=C(C=CC(=C3)Br)OCC4=CC=C(C=C4)Br)C(=O)NC2=S)C(=O)O

InChI

InChI=1S/C25H16Br2N2O5S/c26-17-6-4-14(5-7-17)13-34-21-9-8-18(27)10-16(21)12-20-22(30)28-25(35)29(23(20)31)19-3-1-2-15(11-19)24(32)33/h1-12H,13H2,(H,32,33)(H,28,30,35)