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

Systemtic Name: S-methyl N-[3-[3-fluoranyl-4-(4-imidazol-1-ylcarbonylpiperazin-1-yl)phenyl]-2-oxidanylidene-1,3-oxazolidin-5-yl]-N-methyl-carbamothioate Openeye Name: S-methyl N-[3-[3-fluoro-4-[4-(imidazole-1-carbonyl)piperazin-1-yl]phenyl]-2-oxo-oxazolidin-5-yl]-N-methyl-carbamothioate CAS Name: N-[3-[3-fluoro-4-[4-[1-imidazolyl(oxo)methyl]-1-piperazinyl]phenyl]-2-oxo-5-oxazolidinyl]-N-methylcarbamothioic acid S-methyl ester IUPAC Name: S-methyl N-[3-[3-fluoro-4-[4-(imidazole-1-carbonyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylcarbamothioate Traditional Name: N-[3-[3-fluoro-4-[4-(imidazole-1-carbonyl)piperazino]phenyl]-2-keto-oxazolidin-5-yl]-N-methyl-thiocarbamic acid S-methyl ester Formula: C20H23FN6O4S MolecularWeight: 462.497823

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)N4C=CN=C4)F)C(=O)SC

Isomeric SMILES

CN(C1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)N4C=CN=C4)F)C(=O)SC

InChI

InChI=1S/C20H23FN6O4S/c1-23(20(30)32-2)17-12-27(19(29)31-17)14-3-4-16(15(21)11-14)24-7-9-25(10-8-24)18(28)26-6-5-22-13-26/h3-6,11,13,17H,7-10,12H2,1-2H3