4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-(3-fluoranyl-4-methyl-phenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-(3-fluoranyl-4-methyl-phenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(3S)-1,1-dioxothiolan-3-yl]-N-(3-fluoro-4-methyl-phenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(3S)-1,1-dioxo-3-thiolanyl]-N-(3-fluoro-4-methylphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(3S)-1,1-dioxothiolan-3-yl]-N-(3-fluoro-4-methylphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(3S)-1,1-diketothiolan-3-yl]-N-(3-fluoro-4-methyl-phenyl)piperazin-4-ium-1-carbothioamide Formula: C16H23FN3O2S2+ MolecularWeight: 372.501123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CC[NH+](CC2)C3CCS(=O)(=O)C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CC[NH+](CC2)[C@H]3CCS(=O)(=O)C3)F

InChI

InChI=1S/C16H22FN3O2S2/c1-12-2-3-13(10-15(12)17)18-16(23)20-7-5-19(6-8-20)14-4-9-24(21,22)11-14/h2-3,10,14H,4-9,11H2,1H3,(H,18,23)/p+1/t14-/m0/s1