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

Systemtic Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbamothioyl]cyclopentanecarboxamide Openeye Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbamothioyl]cyclopentanecarboxamide CAS Name: N-[[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]anilino]-sulfanylidenemethyl]cyclopentanecarboxamide IUPAC Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbamothioyl]cyclopentanecarboxamide Traditional Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]thiocarbamoyl]cyclopentanecarboxamide Formula: C18H27N4O3S2+ MolecularWeight: 411.56198

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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)C3CCCC3

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3CCCC3

InChI

InChI=1S/C18H26N4O3S2/c1-21-10-12-22(13-11-21)27(24,25)16-8-6-15(7-9-16)19-18(26)20-17(23)14-4-2-3-5-14/h6-9,14H,2-5,10-13H2,1H3,(H2,19,20,23,26)/p+1