N-methyl-4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-methyl-4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-methyl-4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]piperazin-4-ium-1-carbothioamide CAS Name: N-methyl-4-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-methyl-4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-N-methyl-piperazin-4-ium-1-carbothioamide Formula: C13H27N5OS+2 MolecularWeight: 301.45138

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CC[NH+](CC1)CC(=O)N2CC[NH+](CC2)C

Isomeric SMILES

CNC(=S)N1CC[NH+](CC1)CC(=O)N2CC[NH+](CC2)C

InChI

InChI=1S/C13H25N5OS/c1-14-13(20)18-9-5-16(6-10-18)11-12(19)17-7-3-15(2)4-8-17/h3-11H2,1-2H3,(H,14,20)/p+2