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

Systemtic Name: 3-[5-[[3-bromanyl-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Openeye Name: 3-[5-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylene]-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid CAS Name: 3-[5-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid IUPAC Name: 3-[5-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Traditional Name: 3-[5-[3-bromo-4-(2,4-dichlorobenzyl)oxy-benzylidene]-4,6-diketo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid Formula: C25H15BrCl2N2O5S MolecularWeight: 606.272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H15BrCl2N2O5S/c26-19-9-13(4-7-21(19)35-12-15-5-6-16(27)11-20(15)28)8-18-22(31)29-25(36)30(23(18)32)17-3-1-2-14(10-17)24(33)34/h1-11H,12H2,(H,33,34)(H,29,31,36)