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

Systemtic Name: 4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-(phenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-benzyl-4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-carbothioamide CAS Name: 4-[(3S)-1,1-dioxo-3-thiolanyl]-N-(phenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-benzyl-4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-carbothioamide Traditional Name: N-benzyl-4-[(3S)-1,1-diketothiolan-3-yl]piperazin-4-ium-1-carbothioamide Formula: C16H24N3O2S2+ MolecularWeight: 354.51066

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1[NH+]2CCN(CC2)C(=S)NCC3=CC=CC=C3

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1[NH+]2CCN(CC2)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C16H23N3O2S2/c20-23(21)11-6-15(13-23)18-7-9-19(10-8-18)16(22)17-12-14-4-2-1-3-5-14/h1-5,15H,6-13H2,(H,17,22)/p+1/t15-/m0/s1