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

Systemtic Name: [(1S)-2-[(2-fluorophenyl)carbamothioylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(2-fluorophenyl)carbamothioylamino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(2-fluoroanilino)-sulfanylidenemethyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(2-fluorophenyl)carbamothioylamino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[(2-fluorophenyl)thiocarbamoylamino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C17H21FN3S+ MolecularWeight: 318.432143

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=S)NC1=CC=CC=C1F)C2=CC=CC=C2

Isomeric SMILES

C[NH+](C)[C@H](CNC(=S)NC1=CC=CC=C1F)C2=CC=CC=C2

InChI

InChI=1S/C17H20FN3S/c1-21(2)16(13-8-4-3-5-9-13)12-19-17(22)20-15-11-7-6-10-14(15)18/h3-11,16H,12H2,1-2H3,(H2,19,20,22)/p+1/t16-/m1/s1