2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-(phenethylcarbamothioyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-(phenethylcarbamothioyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(3S)-1,1-dioxothiolan-3-yl]-(phenethylcarbamothioyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3S)-1,1-dioxo-3-thiolanyl]-[(phenethylamino)-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(3S)-1,1-dioxothiolan-3-yl]-(phenethylcarbamothioyl)amino]ethyl-dimethylazanium Traditional Name: 2-[[(3S)-1,1-diketothiolan-3-yl]-(phenethylthiocarbamoyl)amino]ethyl-dimethyl-ammonium Formula: C17H28N3O2S2+ MolecularWeight: 370.55312

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1CCS(=O)(=O)C1)C(=S)NCCC2=CC=CC=C2

Isomeric SMILES

C[NH+](C)CCN([C@H]1CCS(=O)(=O)C1)C(=S)NCCC2=CC=CC=C2

InChI

InChI=1S/C17H27N3O2S2/c1-19(2)11-12-20(16-9-13-24(21,22)14-16)17(23)18-10-8-15-6-4-3-5-7-15/h3-7,16H,8-14H2,1-2H3,(H,18,23)/p+1/t16-/m0/s1