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

Systemtic Name: 3-[5-[[4-[(2-chlorophenyl)methoxy]-3-iodanyl-phenyl]methylidene]-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Openeye Name: 3-[5-[[4-[(2-chlorophenyl)methoxy]-3-iodo-phenyl]methylene]-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid CAS Name: 3-[5-[[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid IUPAC Name: 3-[5-[[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Traditional Name: 3-[5-[4-(2-chlorobenzyl)oxy-3-iodo-benzylidene]-4,6-diketo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid Formula: C25H16ClIN2O5S MolecularWeight: 618.82741

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC2=C(C=C(C=C2)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC(=C4)C(=O)O)I)Cl

Isomeric SMILES

C1=CC=C(C(=C1)COC2=C(C=C(C=C2)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC(=C4)C(=O)O)I)Cl

InChI

InChI=1S/C25H16ClIN2O5S/c26-19-7-2-1-4-16(19)13-34-21-9-8-14(11-20(21)27)10-18-22(30)28-25(35)29(23(18)31)17-6-3-5-15(12-17)24(32)33/h1-12H,13H2,(H,32,33)(H,28,30,35)