4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-(2-fluorophenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-(2-fluorophenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-fluorophenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(3S)-1,1-dioxo-3-thiolanyl]-N-(2-fluorophenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-fluorophenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(3S)-1,1-diketothiolan-3-yl]-N-(2-fluorophenyl)piperazin-4-ium-1-carbothioamide Formula: C15H21FN3O2S2+ MolecularWeight: 358.474543

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1[NH+]2CCN(CC2)C(=S)NC3=CC=CC=C3F

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1[NH+]2CCN(CC2)C(=S)NC3=CC=CC=C3F

InChI

InChI=1S/C15H20FN3O2S2/c16-13-3-1-2-4-14(13)17-15(22)19-8-6-18(7-9-19)12-5-10-23(20,21)11-12/h1-4,12H,5-11H2,(H,17,22)/p+1/t12-/m0/s1