3-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]methyl]-4-fluoranyl-benzenecarbothioamide

Systemtic Name: 3-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]methyl]-4-fluoranyl-benzenecarbothioamide Openeye Name: 3-[(4-ethyl-2,3-dioxo-piperazin-1-yl)methyl]-4-fluoro-benzenecarbothioamide CAS Name: 3-[(4-ethyl-2,3-dioxo-1-piperazinyl)methyl]-4-fluorobenzenecarbothioamide IUPAC Name: 3-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-4-fluorobenzenecarbothioamide Traditional Name: 3-[(4-ethyl-2,3-diketo-piperazino)methyl]-4-fluoro-thiobenzamide Formula: C14H16FN3O2S MolecularWeight: 309.359143

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(C(=O)C1=O)CC2=C(C=CC(=C2)C(=S)N)F

Isomeric SMILES

CCN1CCN(C(=O)C1=O)CC2=C(C=CC(=C2)C(=S)N)F

InChI

InChI=1S/C14H16FN3O2S/c1-2-17-5-6-18(14(20)13(17)19)8-10-7-9(12(16)21)3-4-11(10)15/h3-4,7H,2,5-6,8H2,1H3,(H2,16,21)