N-[[2-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: N-[[2-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: N-[[2-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]furan-2-carboxamide CAS Name: N-[[2-(4-methyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[[2-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: N-[[2-(4-methylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]-2-furamide Formula: C17H21N4O2S+ MolecularWeight: 345.43924

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=CO3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=CO3

InChI

InChI=1S/C17H20N4O2S/c1-20-8-10-21(11-9-20)14-6-3-2-5-13(14)18-17(24)19-16(22)15-7-4-12-23-15/h2-7,12H,8-11H2,1H3,(H2,18,19,22,24)/p+1