N-[[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: N-[[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: N-[[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]carbamothioyl]furan-2-carboxamide CAS Name: N-[[4-[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: N-[[4-[4-(2-fluorobenzyl)piperazin-4-ium-1-yl]phenyl]thiocarbamoyl]-2-furamide Formula: C23H24FN4O2S+ MolecularWeight: 439.525663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2F)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2F)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=CO4

InChI

InChI=1S/C23H23FN4O2S/c24-20-5-2-1-4-17(20)16-27-11-13-28(14-12-27)19-9-7-18(8-10-19)25-23(31)26-22(29)21-6-3-15-30-21/h1-10,15H,11-14,16H2,(H2,25,26,29,31)/p+1