3-[[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[2-methoxy-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]anilino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C18H33N5O3S2+2 MolecularWeight: 431.61632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H31N5O3S2/c1-21(2)9-5-8-19-18(27)20-16-14-15(6-7-17(16)26-4)28(24,25)23-12-10-22(3)11-13-23/h6-7,14H,5,8-13H2,1-4H3,(H2,19,20,27)/p+2