[(1S)-2-[(2-fluorophenyl)carbamothioylamino]-1-(3-methoxyphenyl)ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(2-fluorophenyl)carbamothioylamino]-1-(3-methoxyphenyl)ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(2-fluorophenyl)carbamothioylamino]-1-(3-methoxyphenyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(2-fluoroanilino)-sulfanylidenemethyl]amino]-1-(3-methoxyphenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(2-fluorophenyl)carbamothioylamino]-1-(3-methoxyphenyl)ethyl]-dimethylazanium Traditional Name: [(1S)-2-[(2-fluorophenyl)thiocarbamoylamino]-1-(3-methoxyphenyl)ethyl]-dimethyl-ammonium Formula: C18H23FN3OS+ MolecularWeight: 348.458123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22FN3OS/c1-22(2)17(13-7-6-8-14(11-13)23-3)12-20-18(24)21-16-10-5-4-9-15(16)19/h4-11,17H,12H2,1-3H3,(H2,20,21,24)/p+1/t17-/m1/s1