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

Systemtic Name: 3-[5-[[3-bromanyl-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Openeye Name: 3-[5-[[3-bromo-4-(1-naphthylmethoxy)phenyl]methylene]-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid CAS Name: 3-[5-[[3-bromo-4-(1-naphthalenylmethoxy)phenyl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid IUPAC Name: 3-[5-[[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Traditional Name: 3-[5-[3-bromo-4-(1-naphthylmethoxy)benzylidene]-4,6-diketo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid Formula: C29H19BrN2O5S MolecularWeight: 587.44056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2COC3=C(C=C(C=C3)C=C4C(=O)NC(=S)N(C4=O)C5=CC=CC(=C5)C(=O)O)Br

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2COC3=C(C=C(C=C3)C=C4C(=O)NC(=S)N(C4=O)C5=CC=CC(=C5)C(=O)O)Br

InChI

InChI=1S/C29H19BrN2O5S/c30-24-14-17(11-12-25(24)37-16-20-8-3-6-18-5-1-2-10-22(18)20)13-23-26(33)31-29(38)32(27(23)34)21-9-4-7-19(15-21)28(35)36/h1-15H,16H2,(H,35,36)(H,31,33,38)