N-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbamothioyl]cyclobutanecarboxamide

Systemtic Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbamothioyl]cyclobutanecarboxamide Openeye Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbamothioyl]cyclobutanecarboxamide CAS Name: N-[[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]anilino]-sulfanylidenemethyl]cyclobutanecarboxamide IUPAC Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbamothioyl]cyclobutanecarboxamide Traditional Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]thiocarbamoyl]cyclobutanecarboxamide Formula: C17H25N4O3S2+ MolecularWeight: 397.5354

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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)C3CCC3

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3CCC3

InChI

InChI=1S/C17H24N4O3S2/c1-20-9-11-21(12-10-20)26(23,24)15-7-5-14(6-8-15)18-17(25)19-16(22)13-3-2-4-13/h5-8,13H,2-4,9-12H2,1H3,(H2,18,19,22,25)/p+1