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

Systemtic Name: [(1S)-2-[(4-methoxyphenyl)carbamothioylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(4-methoxyphenyl)carbamothioylamino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(4-methoxyanilino)-sulfanylidenemethyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(4-methoxyphenyl)carbamothioylamino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[(4-methoxyphenyl)thiocarbamoylamino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C18H24N3OS+ MolecularWeight: 330.46766

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=S)NC1=CC=C(C=C1)OC)C2=CC=CC=C2

Isomeric SMILES

C[NH+](C)[C@H](CNC(=S)NC1=CC=C(C=C1)OC)C2=CC=CC=C2

InChI

InChI=1S/C18H23N3OS/c1-21(2)17(14-7-5-4-6-8-14)13-19-18(23)20-15-9-11-16(22-3)12-10-15/h4-12,17H,13H2,1-3H3,(H2,19,20,23)/p+1/t17-/m1/s1