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

Systemtic Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbamothioyl]cyclohexanecarboxamide Openeye Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbamothioyl]cyclohexanecarboxamide CAS Name: N-[[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]anilino]-sulfanylidenemethyl]cyclohexanecarboxamide IUPAC Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbamothioyl]cyclohexanecarboxamide Traditional Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]thiocarbamoyl]cyclohexanecarboxamide Formula: C19H29N4O3S2+ MolecularWeight: 425.58856

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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)C3CCCCC3

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3CCCCC3

InChI

InChI=1S/C19H28N4O3S2/c1-22-11-13-23(14-12-22)28(25,26)17-9-7-16(8-10-17)20-19(27)21-18(24)15-5-3-2-4-6-15/h7-10,15H,2-6,11-14H2,1H3,(H2,20,21,24,27)/p+1