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

Systemtic Name: S-[[4-[2-(dimethylcarbamoylamino)pyridin-4-yl]oxy-3-fluoranyl-phenyl]carbamoylamino] 2-cyclohexylethanethioate Openeye Name: S-[[4-[[2-(dimethylcarbamoylamino)-4-pyridyl]oxy]-3-fluoro-phenyl]carbamoylamino] 2-cyclohexylethanethioate CAS Name: 2-cyclohexylethanethioic acid S-[[[4-[[2-[[dimethylamino(oxo)methyl]amino]-4-pyridinyl]oxy]-3-fluoroanilino]-oxomethyl]amino] ester IUPAC Name: S-[[4-[2-(dimethylcarbamoylamino)pyridin-4-yl]oxy-3-fluorophenyl]carbamoylamino] 2-cyclohexylethanethioate Traditional Name: 2-cyclohexylethanethioic acid S-[[4-[[2-(dimethylcarbamoylamino)-4-pyridyl]oxy]-3-fluoro-phenyl]carbamoylamino] ester Formula: C23H28FN5O4S MolecularWeight: 489.562923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)NC1=NC=CC(=C1)OC2=C(C=C(C=C2)NC(=O)NSC(=O)CC3CCCCC3)F

Isomeric SMILES

CN(C)C(=O)NC1=NC=CC(=C1)OC2=C(C=C(C=C2)NC(=O)NSC(=O)CC3CCCCC3)F

InChI

InChI=1S/C23H28FN5O4S/c1-29(2)23(32)27-20-14-17(10-11-25-20)33-19-9-8-16(13-18(19)24)26-22(31)28-34-21(30)12-15-6-4-3-5-7-15/h8-11,13-15H,3-7,12H2,1-2H3,(H,25,27,32)(H2,26,28,31)