4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-(3,5-dimethylphenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-(3,5-dimethylphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(3,5-dimethylphenyl)-4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-carbothioamide CAS Name: N-(3,5-dimethylphenyl)-4-[(3S)-1,1-dioxo-3-thiolanyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3,5-dimethylphenyl)-4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(3S)-1,1-diketothiolan-3-yl]-N-(3,5-dimethylphenyl)piperazin-4-ium-1-carbothioamide Formula: C17H26N3O2S2+ MolecularWeight: 368.53724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O2S2/c1-13-9-14(2)11-15(10-13)18-17(23)20-6-4-19(5-7-20)16-3-8-24(21,22)12-16/h9-11,16H,3-8,12H2,1-2H3,(H,18,23)/p+1/t16-/m0/s1