[[(3-fluorophenyl)carbamothioylamino]-[methoxycarbonyl(methyl)amino]methylidene]-dimethyl-azanium

Systemtic Name: [[(3-fluorophenyl)carbamothioylamino]-[methoxycarbonyl(methyl)amino]methylidene]-dimethyl-azanium Openeye Name: [[(3-fluorophenyl)carbamothioylamino]-[methoxycarbonyl(methyl)amino]methylene]-dimethyl-ammonium CAS Name: [[[(3-fluoroanilino)-sulfanylidenemethyl]amino]-[methoxycarbonyl(methyl)amino]methylidene]-dimethylammonium IUPAC Name: [[(3-fluorophenyl)carbamothioylamino]-[methoxycarbonyl(methyl)amino]methylidene]-dimethylazanium Traditional Name: [[carbomethoxy(methyl)amino]-[(3-fluorophenyl)thiocarbamoylamino]methylene]-dimethyl-ammonium Formula: C13H18FN4O2S+ MolecularWeight: 313.371023

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=[N+](C)C)NC(=S)NC1=CC(=CC=C1)F)C(=O)OC

Isomeric SMILES

CN(C(=[N+](C)C)NC(=S)NC1=CC(=CC=C1)F)C(=O)OC

InChI

InChI=1S/C13H17FN4O2S/c1-17(2)12(18(3)13(19)20-4)16-11(21)15-10-7-5-6-9(14)8-10/h5-8H,1-4H3,(H,15,21)/p+1