[(2S)-2-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]-2-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(2S)-2-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]-2-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(2S)-2-[(3-chloro-4-fluoro-phenyl)carbamothioylamino]-2-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(2S)-2-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]-2-phenylethyl]-dimethylammonium IUPAC Name: [(2S)-2-[(3-chloro-4-fluorophenyl)carbamothioylamino]-2-phenylethyl]-dimethylazanium Traditional Name: [(2S)-2-[(3-chloro-4-fluoro-phenyl)thiocarbamoylamino]-2-phenyl-ethyl]-dimethyl-ammonium Formula: C17H20ClFN3S+ MolecularWeight: 352.877203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClFN3S/c1-22(2)11-16(12-6-4-3-5-7-12)21-17(23)20-13-8-9-15(19)14(18)10-13/h3-10,16H,11H2,1-2H3,(H2,20,21,23)/p+1/t16-/m1/s1