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

Systemtic Name: O-propan-2-yl N-[[3-[4-(4-ethanoylpiperazin-1-yl)-3-fluoranyl-phenyl]-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]carbamothioate Openeye Name: O-isopropyl N-[[3-[4-(4-acetylpiperazin-1-yl)-3-fluoro-phenyl]-2-oxo-oxazolidin-5-yl]methyl]carbamothioate CAS Name: N-[[3-[4-(4-acetyl-1-piperazinyl)-3-fluorophenyl]-2-oxo-5-oxazolidinyl]methyl]carbamothioic acid O-propan-2-yl ester IUPAC Name: O-propan-2-yl N-[[3-[4-(4-acetylpiperazin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamothioate Traditional Name: N-[[3-[4-(4-acetylpiperazino)-3-fluoro-phenyl]-2-keto-oxazolidin-5-yl]methyl]thiocarbamic acid O-isopropyl ester Formula: C20H27FN4O4S MolecularWeight: 438.516183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=S)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C)F

Isomeric SMILES

CC(C)OC(=S)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C)F

InChI

InChI=1S/C20H27FN4O4S/c1-13(2)28-19(30)22-11-16-12-25(20(27)29-16)15-4-5-18(17(21)10-15)24-8-6-23(7-9-24)14(3)26/h4-5,10,13,16H,6-9,11-12H2,1-3H3,(H,22,30)