[(1R)-2-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]-1-thiophen-2-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-2-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]-1-thiophen-2-yl-ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-[(3-chloro-4-fluoro-phenyl)carbamothioylamino]-1-(2-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]-1-thiophen-2-ylethyl]-dimethylammonium IUPAC Name: [(1R)-2-[(3-chloro-4-fluorophenyl)carbamothioylamino]-1-thiophen-2-ylethyl]-dimethylazanium Traditional Name: [(1R)-2-[(3-chloro-4-fluoro-phenyl)thiocarbamoylamino]-1-(2-thienyl)ethyl]-dimethyl-ammonium Formula: C15H18ClFN3S2+ MolecularWeight: 358.904923

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=S)NC1=CC(=C(C=C1)F)Cl)C2=CC=CS2

Isomeric SMILES

C[NH+](C)[C@H](CNC(=S)NC1=CC(=C(C=C1)F)Cl)C2=CC=CS2

InChI

InChI=1S/C15H17ClFN3S2/c1-20(2)13(14-4-3-7-22-14)9-18-15(21)19-10-5-6-12(17)11(16)8-10/h3-8,13H,9H2,1-2H3,(H2,18,19,21)/p+1/t13-/m1/s1