S-[[3-fluoranyl-4-[2-(pyrrolidin-1-ylcarbonylamino)pyridin-4-yl]oxy-phenyl]carbamoylamino] 2-phenylethanethioate

Systemtic Name: S-[[3-fluoranyl-4-[2-(pyrrolidin-1-ylcarbonylamino)pyridin-4-yl]oxy-phenyl]carbamoylamino] 2-phenylethanethioate Openeye Name: S-[[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridyl]oxy]phenyl]carbamoylamino] 2-phenylethanethioate CAS Name: 2-phenylethanethioic acid S-[[[3-fluoro-4-[[2-[[oxo(1-pyrrolidinyl)methyl]amino]-4-pyridinyl]oxy]anilino]-oxomethyl]amino] ester IUPAC Name: S-[[3-fluoro-4-[2-(pyrrolidine-1-carbonylamino)pyridin-4-yl]oxyphenyl]carbamoylamino] 2-phenylethanethioate Traditional Name: 2-phenylethanethioic acid S-[[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridyl]oxy]phenyl]carbamoylamino] ester Formula: C25H24FN5O4S MolecularWeight: 509.552563

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)NC2=NC=CC(=C2)OC3=C(C=C(C=C3)NC(=O)NSC(=O)CC4=CC=CC=C4)F

Isomeric SMILES

C1CCN(C1)C(=O)NC2=NC=CC(=C2)OC3=C(C=C(C=C3)NC(=O)NSC(=O)CC4=CC=CC=C4)F

InChI

InChI=1S/C25H24FN5O4S/c26-20-15-18(28-24(33)30-36-23(32)14-17-6-2-1-3-7-17)8-9-21(20)35-19-10-11-27-22(16-19)29-25(34)31-12-4-5-13-31/h1-3,6-11,15-16H,4-5,12-14H2,(H,27,29,34)(H2,28,30,33)