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

Systemtic Name: N-[[3-[4-[4-(cyanomethyl)piperazin-1-yl]phenyl]-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]ethanethioamide Openeye Name: N-[[3-[4-[4-(cyanomethyl)piperazin-1-yl]phenyl]-2-oxo-oxazolidin-5-yl]methyl]thioacetamide CAS Name: N-[[3-[4-[4-(cyanomethyl)-1-piperazinyl]phenyl]-2-oxo-5-oxazolidinyl]methyl]ethanethioamide IUPAC Name: N-[[3-[4-[4-(cyanomethyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide Traditional Name: N-[[3-[4-[4-(cyanomethyl)piperazino]phenyl]-2-keto-oxazolidin-5-yl]methyl]thioacetamide Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O2S/c1-14(26)20-12-17-13-23(18(24)25-17)16-4-2-15(3-5-16)22-10-8-21(7-6-19)9-11-22/h2-5,17H,7-13H2,1H3,(H,20,26)