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

Systemtic Name: 3-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-(phenethylcarbamothioyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[[(3S)-1,1-dioxothiolan-3-yl]-(phenethylcarbamothioyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(3S)-1,1-dioxo-3-thiolanyl]-[(phenethylamino)-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(3S)-1,1-dioxothiolan-3-yl]-(phenethylcarbamothioyl)amino]propyl-dimethylazanium Traditional Name: 3-[[(3S)-1,1-diketothiolan-3-yl]-(phenethylthiocarbamoyl)amino]propyl-dimethyl-ammonium Formula: C18H30N3O2S2+ MolecularWeight: 384.5797

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O2S2/c1-20(2)12-6-13-21(17-10-14-25(22,23)15-17)18(24)19-11-9-16-7-4-3-5-8-16/h3-5,7-8,17H,6,9-15H2,1-2H3,(H,19,24)/p+1/t17-/m0/s1