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

Systemtic Name: 4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-(3-ethylphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(3S)-1,1-dioxothiolan-3-yl]-N-(3-ethylphenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(3S)-1,1-dioxo-3-thiolanyl]-N-(3-ethylphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(3S)-1,1-dioxothiolan-3-yl]-N-(3-ethylphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(3S)-1,1-diketothiolan-3-yl]-N-(3-ethylphenyl)piperazin-4-ium-1-carbothioamide Formula: C17H26N3O2S2+ MolecularWeight: 368.53724

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)N2CC[NH+](CC2)C3CCS(=O)(=O)C3

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)N2CC[NH+](CC2)[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C17H25N3O2S2/c1-2-14-4-3-5-15(12-14)18-17(23)20-9-7-19(8-10-20)16-6-11-24(21,22)13-16/h3-5,12,16H,2,6-11,13H2,1H3,(H,18,23)/p+1/t16-/m0/s1