[(1S)-1-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methylcarbamothioylamino]ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methylcarbamothioylamino]ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methylcarbamothioylamino]ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(3-methoxyphenyl)-2-[[[(4-methoxyphenyl)methylamino]-sulfanylidenemethyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methylcarbamothioylamino]ethyl]-dimethylazanium Traditional Name: [(1S)-1-(3-methoxyphenyl)-2-(p-anisylthiocarbamoylamino)ethyl]-dimethyl-ammonium Formula: C20H28N3O2S+ MolecularWeight: 374.52022

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=S)NCC1=CC=C(C=C1)OC)C2=CC(=CC=C2)OC

Isomeric SMILES

C[NH+](C)[C@H](CNC(=S)NCC1=CC=C(C=C1)OC)C2=CC(=CC=C2)OC

InChI

InChI=1S/C20H27N3O2S/c1-23(2)19(16-6-5-7-18(12-16)25-4)14-22-20(26)21-13-15-8-10-17(24-3)11-9-15/h5-12,19H,13-14H2,1-4H3,(H2,21,22,26)/p+1/t19-/m1/s1