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

Systemtic Name: 4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-(furan-2-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-furylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(3S)-1,1-dioxo-3-thiolanyl]-N-(2-furanylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(3S)-1,1-diketothiolan-3-yl]-N-(2-furfuryl)piperazin-4-ium-1-carbothioamide Formula: C14H22N3O3S2+ MolecularWeight: 344.47278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1[NH+]2CCN(CC2)C(=S)NCC3=CC=CO3

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1[NH+]2CCN(CC2)C(=S)NCC3=CC=CO3

InChI

InChI=1S/C14H21N3O3S2/c18-22(19)9-3-12(11-22)16-4-6-17(7-5-16)14(21)15-10-13-2-1-8-20-13/h1-2,8,12H,3-7,9-11H2,(H,15,21)/p+1/t12-/m0/s1