S-[4-fluoranyl-2-[[2-oxidanylidene-2-(propan-2-ylamino)ethyl]carbamoyl]phenyl] pyridine-3-carbothioate

Systemtic Name: S-[4-fluoranyl-2-[[2-oxidanylidene-2-(propan-2-ylamino)ethyl]carbamoyl]phenyl] pyridine-3-carbothioate Openeye Name: S-[4-fluoro-2-[[2-(isopropylamino)-2-oxo-ethyl]carbamoyl]phenyl] pyridine-3-carbothioate CAS Name: 3-pyridinecarbothioic acid S-[4-fluoro-2-[oxo-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]phenyl] ester IUPAC Name: S-[4-fluoro-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]phenyl] pyridine-3-carbothioate Traditional Name: pyridine-3-carbothioic acid S-[4-fluoro-2-[[2-(isopropylamino)-2-keto-ethyl]carbamoyl]phenyl] ester Formula: C18H18FN3O3S MolecularWeight: 375.417223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CNC(=O)C1=C(C=CC(=C1)F)SC(=O)C2=CN=CC=C2

Isomeric SMILES

CC(C)NC(=O)CNC(=O)C1=C(C=CC(=C1)F)SC(=O)C2=CN=CC=C2

InChI

InChI=1S/C18H18FN3O3S/c1-11(2)22-16(23)10-21-17(24)14-8-13(19)5-6-15(14)26-18(25)12-4-3-7-20-9-12/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,23)