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

Systemtic Name: [(2S)-2-[(4-fluorophenyl)carbamothioylamino]-2-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(2S)-2-[(4-fluorophenyl)carbamothioylamino]-2-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(2S)-2-[[(4-fluoroanilino)-sulfanylidenemethyl]amino]-2-phenylethyl]-dimethylammonium IUPAC Name: [(2S)-2-[(4-fluorophenyl)carbamothioylamino]-2-phenylethyl]-dimethylazanium Traditional Name: [(2S)-2-[(4-fluorophenyl)thiocarbamoylamino]-2-phenyl-ethyl]-dimethyl-ammonium Formula: C17H21FN3S+ MolecularWeight: 318.432143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(C1=CC=CC=C1)NC(=S)NC2=CC=C(C=C2)F

Isomeric SMILES

C[NH+](C)C[C@H](C1=CC=CC=C1)NC(=S)NC2=CC=C(C=C2)F

InChI

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