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

Systemtic Name: 4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-phenethyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(3S)-1,1-dioxothiolan-3-yl]-N-phenethyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[(3S)-1,1-dioxo-3-thiolanyl]-N-phenethyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(3S)-1,1-dioxothiolan-3-yl]-N-phenethylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-[(3S)-1,1-diketothiolan-3-yl]-N-phenethyl-piperazin-4-ium-1-carbothioamide Formula: C17H26N3O2S2+ MolecularWeight: 368.53724

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1[NH+]2CCN(CC2)C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1[NH+]2CCN(CC2)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C17H25N3O2S2/c21-24(22)13-7-16(14-24)19-9-11-20(12-10-19)17(23)18-8-6-15-4-2-1-3-5-15/h1-5,16H,6-14H2,(H,18,23)/p+1/t16-/m0/s1