4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-propan-2-yl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-propan-2-yl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(3S)-1,1-dioxothiolan-3-yl]-N-isopropyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[(3S)-1,1-dioxo-3-thiolanyl]-N-propan-2-yl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(3S)-1,1-dioxothiolan-3-yl]-N-propan-2-ylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-[(3S)-1,1-diketothiolan-3-yl]-N-isopropyl-piperazin-4-ium-1-carbothioamide Formula: C12H24N3O2S2+ MolecularWeight: 306.46786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)N1CC[NH+](CC1)C2CCS(=O)(=O)C2

Isomeric SMILES

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

InChI

InChI=1S/C12H23N3O2S2/c1-10(2)13-12(18)15-6-4-14(5-7-15)11-3-8-19(16,17)9-11/h10-11H,3-9H2,1-2H3,(H,13,18)/p+1/t11-/m0/s1