[(1S)-1-(4-ethylphenyl)-2-[(3-fluoranyl-4-methyl-phenyl)carbamothioylamino]ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-(4-ethylphenyl)-2-[(3-fluoranyl-4-methyl-phenyl)carbamothioylamino]ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(4-ethylphenyl)-2-[(3-fluoro-4-methyl-phenyl)carbamothioylamino]ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(4-ethylphenyl)-2-[[(3-fluoro-4-methylanilino)-sulfanylidenemethyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(4-ethylphenyl)-2-[(3-fluoro-4-methylphenyl)carbamothioylamino]ethyl]-dimethylazanium Traditional Name: [(1S)-1-(4-ethylphenyl)-2-[(3-fluoro-4-methyl-phenyl)thiocarbamoylamino]ethyl]-dimethyl-ammonium Formula: C20H27FN3S+ MolecularWeight: 360.511883

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CNC(=S)NC2=CC(=C(C=C2)C)F)[NH+](C)C

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@H](CNC(=S)NC2=CC(=C(C=C2)C)F)[NH+](C)C

InChI

InChI=1S/C20H26FN3S/c1-5-15-7-9-16(10-8-15)19(24(3)4)13-22-20(25)23-17-11-6-14(2)18(21)12-17/h6-12,19H,5,13H2,1-4H3,(H2,22,23,25)/p+1/t19-/m1/s1