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

Systemtic Name: N-[[3-[4-[4-(cyanomethyl)piperazin-1-yl]-3,5-bis(fluoranyl)phenyl]-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]ethanethioamide Openeye Name: N-[[3-[4-[4-(cyanomethyl)piperazin-1-yl]-3,5-difluoro-phenyl]-2-oxo-oxazolidin-5-yl]methyl]thioacetamide CAS Name: N-[[3-[4-[4-(cyanomethyl)-1-piperazinyl]-3,5-difluorophenyl]-2-oxo-5-oxazolidinyl]methyl]ethanethioamide IUPAC Name: N-[[3-[4-[4-(cyanomethyl)piperazin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide Traditional Name: N-[[3-[4-[4-(cyanomethyl)piperazino]-3,5-difluoro-phenyl]-2-keto-oxazolidin-5-yl]methyl]thioacetamide Formula: C18H21F2N5O2S MolecularWeight: 409.453446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21F2N5O2S/c1-12(28)22-10-14-11-25(18(26)27-14)13-8-15(19)17(16(20)9-13)24-6-4-23(3-2-21)5-7-24/h8-9,14H,3-7,10-11H2,1H3,(H,22,28)