S-[[3-[2-(dimethylcarbamoylamino)pyridin-4-yl]oxy-2-fluoranyl-phenyl]carbamoylamino] 3,3-dimethylbutanethioate

Systemtic Name: S-[[3-[2-(dimethylcarbamoylamino)pyridin-4-yl]oxy-2-fluoranyl-phenyl]carbamoylamino] 3,3-dimethylbutanethioate Openeye Name: S-[[3-[[2-(dimethylcarbamoylamino)-4-pyridyl]oxy]-2-fluoro-phenyl]carbamoylamino] 3,3-dimethylbutanethioate CAS Name: 3,3-dimethylbutanethioic acid S-[[[3-[[2-[[dimethylamino(oxo)methyl]amino]-4-pyridinyl]oxy]-2-fluoroanilino]-oxomethyl]amino] ester IUPAC Name: S-[[3-[2-(dimethylcarbamoylamino)pyridin-4-yl]oxy-2-fluorophenyl]carbamoylamino] 3,3-dimethylbutanethioate Traditional Name: 3,3-dimethylbutanethioic acid S-[[3-[[2-(dimethylcarbamoylamino)-4-pyridyl]oxy]-2-fluoro-phenyl]carbamoylamino] ester Formula: C21H26FN5O4S MolecularWeight: 463.525643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)SNC(=O)NC1=C(C(=CC=C1)OC2=CC(=NC=C2)NC(=O)N(C)C)F

Isomeric SMILES

CC(C)(C)CC(=O)SNC(=O)NC1=C(C(=CC=C1)OC2=CC(=NC=C2)NC(=O)N(C)C)F

InChI

InChI=1S/C21H26FN5O4S/c1-21(2,3)12-17(28)32-26-19(29)24-14-7-6-8-15(18(14)22)31-13-9-10-23-16(11-13)25-20(30)27(4)5/h6-11H,12H2,1-5H3,(H,23,25,30)(H2,24,26,29)