N-[[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: N-[[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]carbamothioyl]furan-2-carboxamide Openeye Name: N-[[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]carbamothioyl]furan-2-carboxamide CAS Name: N-[[[(2S)-2-(4-fluorophenyl)-2-(4-morpholin-4-iumyl)ethyl]amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]carbamothioyl]furan-2-carboxamide Traditional Name: N-[[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]thiocarbamoyl]-2-furamide Formula: C18H21FN3O3S+ MolecularWeight: 378.441043

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=S)NC(=O)C2=CC=CO2)C3=CC=C(C=C3)F

Isomeric SMILES

C1COCC[NH+]1[C@H](CNC(=S)NC(=O)C2=CC=CO2)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H20FN3O3S/c19-14-5-3-13(4-6-14)15(22-7-10-24-11-8-22)12-20-18(26)21-17(23)16-2-1-9-25-16/h1-6,9,15H,7-8,10-12H2,(H2,20,21,23,26)/p+1/t15-/m1/s1