2-[4-[bis(1,3-dimethyl-4-oxidanyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-yl)methyl]-2-bromanyl-6-ethoxy-phenoxy]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[4-[bis(1,3-dimethyl-4-oxidanyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-yl)methyl]-2-bromanyl-6-ethoxy-phenoxy]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-[bis(4-hydroxy-1,3-dimethyl-6-oxo-2-thioxo-pyrimidin-5-yl)methyl]-2-bromo-6-ethoxy-phenoxy]-N-(p-tolyl)acetamide CAS Name: 2-[4-[bis(4-hydroxy-1,3-dimethyl-6-oxo-2-sulfanylidene-5-pyrimidinyl)methyl]-2-bromo-6-ethoxyphenoxy]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-[bis(4-hydroxy-1,3-dimethyl-6-oxo-2-sulfanylidenepyrimidin-5-yl)methyl]-2-bromo-6-ethoxyphenoxy]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-[bis(4-hydroxy-6-keto-1,3-dimethyl-2-thioxo-pyrimidin-5-yl)methyl]-2-bromo-6-ethoxy-phenoxy]-N-(p-tolyl)acetamide Formula: C30H32BrN5O7S2 MolecularWeight: 718.63838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H32BrN5O7S2/c1-7-42-19-13-16(12-18(31)24(19)43-14-20(37)32-17-10-8-15(2)9-11-17)21(22-25(38)33(3)29(44)34(4)26(22)39)23-27(40)35(5)30(45)36(6)28(23)41/h8-13,21,38,40H,7,14H2,1-6H3,(H,32,37)