O-methyl N-[3-[3-fluoranyl-4-(4-pyrazin-2-ylcarbonylpiperazin-1-yl)phenyl]-2-oxidanylidene-1,3-oxazolidin-5-yl]-N-methyl-carbamothioate

Systemtic Name: O-methyl N-[3-[3-fluoranyl-4-(4-pyrazin-2-ylcarbonylpiperazin-1-yl)phenyl]-2-oxidanylidene-1,3-oxazolidin-5-yl]-N-methyl-carbamothioate Openeye Name: O-methyl N-[3-[3-fluoro-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]phenyl]-2-oxo-oxazolidin-5-yl]-N-methyl-carbamothioate CAS Name: N-[3-[3-fluoro-4-[4-[oxo(2-pyrazinyl)methyl]-1-piperazinyl]phenyl]-2-oxo-5-oxazolidinyl]-N-methylcarbamothioic acid O-methyl ester IUPAC Name: O-methyl N-[3-[3-fluoro-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylcarbamothioate Traditional Name: N-[3-[3-fluoro-4-(4-pyrazinoylpiperazino)phenyl]-2-keto-oxazolidin-5-yl]-N-methyl-thiocarbamic acid O-methyl ester Formula: C21H23FN6O4S MolecularWeight: 474.508523

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=NC=CN=C4)F)C(=S)OC

Isomeric SMILES

CN(C1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=NC=CN=C4)F)C(=S)OC

InChI

InChI=1S/C21H23FN6O4S/c1-25(21(33)31-2)18-13-28(20(30)32-18)14-3-4-17(15(22)11-14)26-7-9-27(10-8-26)19(29)16-12-23-5-6-24-16/h3-6,11-12,18H,7-10,13H2,1-2H3