[(1S)-1-(2-chloranyl-6-fluoranyl-phenyl)-2-(phenethylcarbamothioylamino)ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-(2-chloranyl-6-fluoranyl-phenyl)-2-(phenethylcarbamothioylamino)ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(2-chloro-6-fluoro-phenyl)-2-(phenethylcarbamothioylamino)ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(2-chloro-6-fluorophenyl)-2-[[(phenethylamino)-sulfanylidenemethyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(2-chloro-6-fluorophenyl)-2-(phenethylcarbamothioylamino)ethyl]-dimethylazanium Traditional Name: [(1S)-1-(2-chloro-6-fluoro-phenyl)-2-(phenethylthiocarbamoylamino)ethyl]-dimethyl-ammonium Formula: C19H24ClFN3S+ MolecularWeight: 380.930363

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=S)NCCC1=CC=CC=C1)C2=C(C=CC=C2Cl)F

Isomeric SMILES

C[NH+](C)[C@H](CNC(=S)NCCC1=CC=CC=C1)C2=C(C=CC=C2Cl)F

InChI

InChI=1S/C19H23ClFN3S/c1-24(2)17(18-15(20)9-6-10-16(18)21)13-23-19(25)22-12-11-14-7-4-3-5-8-14/h3-10,17H,11-13H2,1-2H3,(H2,22,23,25)/p+1/t17-/m1/s1