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

Systemtic Name: [(1S)-2-[(4-fluorophenyl)carbamothioylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(4-fluorophenyl)carbamothioylamino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(4-fluoroanilino)-sulfanylidenemethyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(4-fluorophenyl)carbamothioylamino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[(4-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=C(C=C1)F)C2=CC=CC=C2

Isomeric SMILES

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

InChI

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