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

Systemtic Name: S-[[3-fluoranyl-4-[2-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbonylamino]pyridin-4-yl]oxy-phenyl]carbamoylamino] 2-phenylethanethioate Openeye Name: S-[[3-fluoro-4-[[2-[(4-pyrrolidin-1-ylpiperidine-1-carbonyl)amino]-4-pyridyl]oxy]phenyl]carbamoylamino] 2-phenylethanethioate CAS Name: 2-phenylethanethioic acid S-[[[3-fluoro-4-[[2-[[oxo-[4-(1-pyrrolidinyl)-1-piperidinyl]methyl]amino]-4-pyridinyl]oxy]anilino]-oxomethyl]amino] ester IUPAC Name: S-[[3-fluoro-4-[2-[(4-pyrrolidin-1-ylpiperidine-1-carbonyl)amino]pyridin-4-yl]oxyphenyl]carbamoylamino] 2-phenylethanethioate Traditional Name: 2-phenylethanethioic acid S-[[3-fluoro-4-[[2-[(4-pyrrolidinopiperidine-1-carbonyl)amino]-4-pyridyl]oxy]phenyl]carbamoylamino] ester Formula: C30H33FN6O4S MolecularWeight: 592.684223

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2CCN(CC2)C(=O)NC3=NC=CC(=C3)OC4=C(C=C(C=C4)NC(=O)NSC(=O)CC5=CC=CC=C5)F

Isomeric SMILES

C1CCN(C1)C2CCN(CC2)C(=O)NC3=NC=CC(=C3)OC4=C(C=C(C=C4)NC(=O)NSC(=O)CC5=CC=CC=C5)F

InChI

InChI=1S/C30H33FN6O4S/c31-25-19-22(33-29(39)35-42-28(38)18-21-6-2-1-3-7-21)8-9-26(25)41-24-10-13-32-27(20-24)34-30(40)37-16-11-23(12-17-37)36-14-4-5-15-36/h1-3,6-10,13,19-20,23H,4-5,11-12,14-18H2,(H,32,34,40)(H2,33,35,39)