3-[5-[[3-bromanyl-5-methoxy-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-5-methoxy-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-5-methoxy-4-(1-naphthylmethoxy)phenyl]methylene]-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid CAS Name: 3-[5-[[3-bromo-5-methoxy-4-(1-naphthalenylmethoxy)phenyl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid IUPAC Name: 3-[5-[[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Traditional Name: 3-[5-[3-bromo-5-methoxy-4-(1-naphthylmethoxy)benzylidene]-4,6-diketo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid Formula: C30H21BrN2O6S MolecularWeight: 617.46654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC(=C3)C(=O)O)Br)OCC4=CC=CC5=CC=CC=C54

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC(=C3)C(=O)O)Br)OCC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C30H21BrN2O6S/c1-38-25-14-17(13-24(31)26(25)39-16-20-9-4-7-18-6-2-3-11-22(18)20)12-23-27(34)32-30(40)33(28(23)35)21-10-5-8-19(15-21)29(36)37/h2-15H,16H2,1H3,(H,36,37)(H,32,34,40)