[(1S)-2-[2-(4-methoxyphenyl)ethylcarbamothioylamino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[2-(4-methoxyphenyl)ethylcarbamothioylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[2-(4-methoxyphenyl)ethylcarbamothioylamino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[[2-(4-methoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[2-(4-methoxyphenyl)ethylcarbamothioylamino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[2-(4-methoxyphenyl)ethylthiocarbamoylamino]-1-phenyl-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=C(C=C1)OC)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3OS/c1-23(2)19(17-7-5-4-6-8-17)15-22-20(25)21-14-13-16-9-11-18(24-3)12-10-16/h4-12,19H,13-15H2,1-3H3,(H2,21,22,25)/p+1/t19-/m1/s1