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

Systemtic Name: N-[[3-[4-(4-cyanopiperazin-1-yl)-3-fluoranyl-phenyl]-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]propanethioamide Openeye Name: N-[[3-[4-(4-cyanopiperazin-1-yl)-3-fluoro-phenyl]-2-oxo-oxazolidin-5-yl]methyl]propanethioamide CAS Name: N-[[3-[4-(4-cyano-1-piperazinyl)-3-fluorophenyl]-2-oxo-5-oxazolidinyl]methyl]propanethioamide IUPAC Name: N-[[3-[4-(4-cyanopiperazin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanethioamide Traditional Name: N-[[3-[4-(4-cyanopiperazino)-3-fluoro-phenyl]-2-keto-oxazolidin-5-yl]methyl]thiopropionamide Formula: C18H22FN5O2S MolecularWeight: 391.462983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22FN5O2S/c1-2-17(27)21-10-14-11-24(18(25)26-14)13-3-4-16(15(19)9-13)23-7-5-22(12-20)6-8-23/h3-4,9,14H,2,5-8,10-11H2,1H3,(H,21,27)