3-[[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]methyl]-4-fluoranyl-benzenecarbothioamide

Systemtic Name: 3-[[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]methyl]-4-fluoranyl-benzenecarbothioamide Openeye Name: 3-[[(1,1-dioxothiolan-3-yl)-methyl-amino]methyl]-4-fluoro-benzenecarbothioamide CAS Name: 3-[[(1,1-dioxo-3-thiolanyl)-methylamino]methyl]-4-fluorobenzenecarbothioamide IUPAC Name: 3-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-fluorobenzenecarbothioamide Traditional Name: 3-[[(1,1-diketothiolan-3-yl)-methyl-amino]methyl]-4-fluoro-thiobenzamide Formula: C13H17FN2O2S2 MolecularWeight: 316.414683

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)C(=S)N)F)C2CCS(=O)(=O)C2

Isomeric SMILES

CN(CC1=C(C=CC(=C1)C(=S)N)F)C2CCS(=O)(=O)C2

InChI

InChI=1S/C13H17FN2O2S2/c1-16(11-4-5-20(17,18)8-11)7-10-6-9(13(15)19)2-3-12(10)14/h2-3,6,11H,4-5,7-8H2,1H3,(H2,15,19)