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

Systemtic Name: 4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-(3-methylsulfanylpropyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(3S)-1,1-dioxothiolan-3-yl]-N-(3-methylsulfanylpropyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(3S)-1,1-dioxo-3-thiolanyl]-N-[3-(methylthio)propyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(3S)-1,1-dioxothiolan-3-yl]-N-(3-methylsulfanylpropyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(3S)-1,1-diketothiolan-3-yl]-N-[3-(methylthio)propyl]piperazin-4-ium-1-carbothioamide Formula: C13H26N3O2S3+ MolecularWeight: 352.55944

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=S)N1CC[NH+](CC1)C2CCS(=O)(=O)C2

Isomeric SMILES

CSCCCNC(=S)N1CC[NH+](CC1)[C@H]2CCS(=O)(=O)C2

InChI

InChI=1S/C13H25N3O2S3/c1-20-9-2-4-14-13(19)16-7-5-15(6-8-16)12-3-10-21(17,18)11-12/h12H,2-11H2,1H3,(H,14,19)/p+1/t12-/m0/s1