1-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-3-(3-methylsulfanylpropyl)thiourea

Systemtic Name: 1-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-3-(3-methylsulfanylpropyl)thiourea Openeye Name: 1-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-3-(3-methylsulfanylpropyl)thiourea CAS Name: 1-[3-(4-methyl-1-piperazine-1,4-diiumyl)propyl]-3-[3-(methylthio)propyl]thiourea IUPAC Name: 1-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-3-(3-methylsulfanylpropyl)thiourea Traditional Name: 1-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-3-[3-(methylthio)propyl]thiourea Formula: C13H30N4S2+2 MolecularWeight: 306.5341

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCCNC(=S)NCCCSC

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCNC(=S)NCCCSC

InChI

InChI=1S/C13H28N4S2/c1-16-8-10-17(11-9-16)7-3-5-14-13(18)15-6-4-12-19-2/h3-12H2,1-2H3,(H2,14,15,18)/p+2