N-[[3-[4-[4-(cyanomethylsulfonyl)piperazin-1-yl]-3-fluoranyl-phenyl]-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]ethanethioamide

Systemtic Name: N-[[3-[4-[4-(cyanomethylsulfonyl)piperazin-1-yl]-3-fluoranyl-phenyl]-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]ethanethioamide Openeye Name: N-[[3-[4-[4-(cyanomethylsulfonyl)piperazin-1-yl]-3-fluoro-phenyl]-2-oxo-oxazolidin-5-yl]methyl]thioacetamide CAS Name: N-[[3-[4-[4-(cyanomethylsulfonyl)-1-piperazinyl]-3-fluorophenyl]-2-oxo-5-oxazolidinyl]methyl]ethanethioamide IUPAC Name: N-[[3-[4-[4-(cyanomethylsulfonyl)piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide Traditional Name: N-[[3-[4-[4-(cyanomethylsulfonyl)piperazino]-3-fluoro-phenyl]-2-keto-oxazolidin-5-yl]methyl]thioacetamide Formula: C18H22FN5O4S2 MolecularWeight: 455.526783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22FN5O4S2/c1-13(29)21-11-15-12-24(18(25)28-15)14-2-3-17(16(19)10-14)22-5-7-23(8-6-22)30(26,27)9-4-20/h2-3,10,15H,5-9,11-12H2,1H3,(H,21,29)