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

Systemtic Name: S-[[3-fluoranyl-4-[2-[(4-oxidanylpiperidin-1-yl)carbonylamino]pyridin-4-yl]oxy-phenyl]carbamoylamino] 2-phenylethanethioate Openeye Name: S-[[3-fluoro-4-[[2-[(4-hydroxypiperidine-1-carbonyl)amino]-4-pyridyl]oxy]phenyl]carbamoylamino] 2-phenylethanethioate CAS Name: 2-phenylethanethioic acid S-[[[3-fluoro-4-[[2-[[(4-hydroxy-1-piperidinyl)-oxomethyl]amino]-4-pyridinyl]oxy]anilino]-oxomethyl]amino] ester IUPAC Name: S-[[3-fluoro-4-[2-[(4-hydroxypiperidine-1-carbonyl)amino]pyridin-4-yl]oxyphenyl]carbamoylamino] 2-phenylethanethioate Traditional Name: 2-phenylethanethioic acid S-[[3-fluoro-4-[[2-[(4-hydroxypiperidine-1-carbonyl)amino]-4-pyridyl]oxy]phenyl]carbamoylamino] ester Formula: C26H26FN5O5S MolecularWeight: 539.578543

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)C(=O)NC2=NC=CC(=C2)OC3=C(C=C(C=C3)NC(=O)NSC(=O)CC4=CC=CC=C4)F

Isomeric SMILES

C1CN(CCC1O)C(=O)NC2=NC=CC(=C2)OC3=C(C=C(C=C3)NC(=O)NSC(=O)CC4=CC=CC=C4)F

InChI

InChI=1S/C26H26FN5O5S/c27-21-15-18(29-25(35)31-38-24(34)14-17-4-2-1-3-5-17)6-7-22(21)37-20-8-11-28-23(16-20)30-26(36)32-12-9-19(33)10-13-32/h1-8,11,15-16,19,33H,9-10,12-14H2,(H,28,30,36)(H2,29,31,35)