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

Systemtic Name: 4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-butyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-butyl-4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-carbothioamide CAS Name: N-butyl-4-[(3S)-1,1-dioxo-3-thiolanyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-butyl-4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-carbothioamide Traditional Name: N-butyl-4-[(3S)-1,1-diketothiolan-3-yl]piperazin-4-ium-1-carbothioamide Formula: C13H26N3O2S2+ MolecularWeight: 320.49444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H25N3O2S2/c1-2-3-5-14-13(19)16-8-6-15(7-9-16)12-4-10-20(17,18)11-12/h12H,2-11H2,1H3,(H,14,19)/p+1/t12-/m0/s1