4’’-Descyano,4’’carboxaamido-enzalutmaide

Analyte Name

4''-Descyano,4''carboxaamido-enzalutmaide

CAS Number

2030242-21-6

Molecular Formula

C21 H18 F4 N4 O3 S

Molecular Weight

482.451

Accurate Mass

482.104

SMILES

CNC(=O)c1ccc(cc1F)N2C(=S)N(C(=O)C2(C)C)c3ccc(C(=O)N)c(c3)C(F)(F)F

InChI

InChI=1S/C21H18F4N4O3S/c1-20(2)18(32)28(10-4-6-12(16(26)30)14(8-10)21(23,24)25)19(33)29(20)11-5-7-13(15(22)9-11)17(31)27-3/h4-9H,1-3H3,(H2,26,30)(H,27,31)

IUPAC

4-[3-[3-fluoro-4-(methylcarbamoyl)phenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzamide

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)