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

Systemtic Name: 4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-(2-methoxyethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methoxyethyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(3S)-1,1-dioxo-3-thiolanyl]-N-(2-methoxyethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methoxyethyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(3S)-1,1-diketothiolan-3-yl]-N-(2-methoxyethyl)piperazin-4-ium-1-carbothioamide Formula: C12H24N3O3S2+ MolecularWeight: 322.46726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H23N3O3S2/c1-18-8-3-13-12(19)15-6-4-14(5-7-15)11-2-9-20(16,17)10-11/h11H,2-10H2,1H3,(H,13,19)/p+1/t11-/m0/s1