1-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(3-methylsulfanylpropyl)thiourea

Systemtic Name: 1-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(3-methylsulfanylpropyl)thiourea Openeye Name: 1-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(3-methylsulfanylpropyl)thiourea CAS Name: 1-[2-(4-methyl-1-piperazin-4-iumyl)phenyl]-3-[3-(methylthio)propyl]thiourea IUPAC Name: 1-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(3-methylsulfanylpropyl)thiourea Traditional Name: 1-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-[3-(methylthio)propyl]thiourea Formula: C16H27N4S2+ MolecularWeight: 339.54238

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=CC=C2NC(=S)NCCCSC

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=CC=C2NC(=S)NCCCSC

InChI

InChI=1S/C16H26N4S2/c1-19-9-11-20(12-10-19)15-7-4-3-6-14(15)18-16(21)17-8-5-13-22-2/h3-4,6-7H,5,8-13H2,1-2H3,(H2,17,18,21)/p+1