[(1S)-1-(2-methoxyphenyl)-2-(phenethylcarbamothioylamino)ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-(2-methoxyphenyl)-2-(phenethylcarbamothioylamino)ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(2-methoxyphenyl)-2-(phenethylcarbamothioylamino)ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(2-methoxyphenyl)-2-[[(phenethylamino)-sulfanylidenemethyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(2-methoxyphenyl)-2-(phenethylcarbamothioylamino)ethyl]-dimethylazanium Traditional Name: [(1S)-1-(2-methoxyphenyl)-2-(phenethylthiocarbamoylamino)ethyl]-dimethyl-ammonium Formula: C20H28N3OS+ MolecularWeight: 358.52082

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=S)NCCC1=CC=CC=C1)C2=CC=CC=C2OC

Isomeric SMILES

C[NH+](C)[C@H](CNC(=S)NCCC1=CC=CC=C1)C2=CC=CC=C2OC

InChI

InChI=1S/C20H27N3OS/c1-23(2)18(17-11-7-8-12-19(17)24-3)15-22-20(25)21-14-13-16-9-5-4-6-10-16/h4-12,18H,13-15H2,1-3H3,(H2,21,22,25)/p+1/t18-/m1/s1