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

Systemtic Name: 3-[5-[[3-bromanyl-5-ethoxy-4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethoxy]phenyl]methylidene]-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Openeye Name: 3-[5-[[3-bromo-5-ethoxy-4-[2-(4-methylanilino)-2-oxo-ethoxy]phenyl]methylene]-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid CAS Name: 3-[5-[[3-bromo-5-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid IUPAC Name: 3-[5-[[3-bromo-5-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Traditional Name: 3-[5-[3-bromo-5-ethoxy-4-[2-keto-2-(p-toluidino)ethoxy]benzylidene]-4,6-diketo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid Formula: C29H24BrN3O7S MolecularWeight: 638.48576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC(=C3)C(=O)O)Br)OCC(=O)NC4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC(=C3)C(=O)O)Br)OCC(=O)NC4=CC=C(C=C4)C

InChI

InChI=1S/C29H24BrN3O7S/c1-3-39-23-13-17(12-22(30)25(23)40-15-24(34)31-19-9-7-16(2)8-10-19)11-21-26(35)32-29(41)33(27(21)36)20-6-4-5-18(14-20)28(37)38/h4-14H,3,15H2,1-2H3,(H,31,34)(H,37,38)(H,32,35,41)