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

Systemtic Name: 3-[5-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Openeye Name: 3-[5-[[2-[(4-chlorophenyl)methoxy]-1-naphthyl]methylene]-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid CAS Name: 3-[5-[[2-[(4-chlorophenyl)methoxy]-1-naphthalenyl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid IUPAC Name: 3-[5-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Traditional Name: 3-[5-[[2-(4-chlorobenzyl)oxy-1-naphthyl]methylene]-4,6-diketo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid Formula: C29H19ClN2O5S MolecularWeight: 542.98956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC(=C4)C(=O)O)OCC5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC(=C4)C(=O)O)OCC5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H19ClN2O5S/c30-20-11-8-17(9-12-20)16-37-25-13-10-18-4-1-2-7-22(18)23(25)15-24-26(33)31-29(38)32(27(24)34)21-6-3-5-19(14-21)28(35)36/h1-15H,16H2,(H,35,36)(H,31,33,38)