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

Systemtic Name: N-[[3-[4-(4-ethanoylpiperazin-1-yl)-3-fluoranyl-phenyl]-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]-2-methyl-butanethioamide Openeye Name: N-[[3-[4-(4-acetylpiperazin-1-yl)-3-fluoro-phenyl]-2-oxo-oxazolidin-5-yl]methyl]-2-methyl-butanethioamide CAS Name: N-[[3-[4-(4-acetyl-1-piperazinyl)-3-fluorophenyl]-2-oxo-5-oxazolidinyl]methyl]-2-methylbutanethioamide IUPAC Name: N-[[3-[4-(4-acetylpiperazin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methylbutanethioamide Traditional Name: N-[[3-[4-(4-acetylpiperazino)-3-fluoro-phenyl]-2-keto-oxazolidin-5-yl]methyl]-2-methyl-thiobutyramide Formula: C21H29FN4O3S MolecularWeight: 436.543363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29FN4O3S/c1-4-14(2)20(30)23-12-17-13-26(21(28)29-17)16-5-6-19(18(22)11-16)25-9-7-24(8-10-25)15(3)27/h5-6,11,14,17H,4,7-10,12-13H2,1-3H3,(H,23,30)