S-[[3-fluoranyl-4-[2-[(1-methylpiperidin-4-yl)carbamoylamino]pyridin-4-yl]oxy-phenyl]carbamoylamino] ethanethioate

Systemtic Name: S-[[3-fluoranyl-4-[2-[(1-methylpiperidin-4-yl)carbamoylamino]pyridin-4-yl]oxy-phenyl]carbamoylamino] ethanethioate Openeye Name: S-[[3-fluoro-4-[[2-[(1-methyl-4-piperidyl)carbamoylamino]-4-pyridyl]oxy]phenyl]carbamoylamino] ethanethioate CAS Name: ethanethioic acid S-[[[3-fluoro-4-[[2-[[[(1-methyl-4-piperidinyl)amino]-oxomethyl]amino]-4-pyridinyl]oxy]anilino]-oxomethyl]amino] ester IUPAC Name: S-[[3-fluoro-4-[2-[(1-methylpiperidin-4-yl)carbamoylamino]pyridin-4-yl]oxyphenyl]carbamoylamino] ethanethioate Traditional Name: ethanethioic acid S-[[3-fluoro-4-[[2-[(1-methyl-4-piperidyl)carbamoylamino]-4-pyridyl]oxy]phenyl]carbamoylamino] ester Formula: C21H25FN6O4S MolecularWeight: 476.524403

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SNC(=O)NC1=CC(=C(C=C1)OC2=CC(=NC=C2)NC(=O)NC3CCN(CC3)C)F

Isomeric SMILES

CC(=O)SNC(=O)NC1=CC(=C(C=C1)OC2=CC(=NC=C2)NC(=O)NC3CCN(CC3)C)F

InChI

InChI=1S/C21H25FN6O4S/c1-13(29)33-27-21(31)25-15-3-4-18(17(22)11-15)32-16-5-8-23-19(12-16)26-20(30)24-14-6-9-28(2)10-7-14/h3-5,8,11-12,14H,6-7,9-10H2,1-2H3,(H2,25,27,31)(H2,23,24,26,30)