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

Systemtic Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbamothioyl]furan-2-carboxamide Openeye Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbamothioyl]furan-2-carboxamide CAS Name: N-[[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbamothioyl]furan-2-carboxamide Traditional Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]thiocarbamoyl]-2-furamide Formula: C17H21N4O4S2+ MolecularWeight: 409.50304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O4S2/c1-20-8-10-21(11-9-20)27(23,24)14-6-4-13(5-7-14)18-17(26)19-16(22)15-3-2-12-25-15/h2-7,12H,8-11H2,1H3,(H2,18,19,22,26)/p+1