1-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-3-(2-phenylsulfanylethyl)thiourea

Systemtic Name: 1-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-3-(2-phenylsulfanylethyl)thiourea Openeye Name: 1-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-3-(2-phenylsulfanylethyl)thiourea CAS Name: 1-[3-(4-methyl-1-piperazine-1,4-diiumyl)propyl]-3-[2-(phenylthio)ethyl]thiourea IUPAC Name: 1-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-3-(2-phenylsulfanylethyl)thiourea Traditional Name: 1-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-3-[2-(phenylthio)ethyl]thiourea Formula: C17H30N4S2+2 MolecularWeight: 354.5769

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCCNC(=S)NCCSC2=CC=CC=C2

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCNC(=S)NCCSC2=CC=CC=C2

InChI

InChI=1S/C17H28N4S2/c1-20-11-13-21(14-12-20)10-5-8-18-17(22)19-9-15-23-16-6-3-2-4-7-16/h2-4,6-7H,5,8-15H2,1H3,(H2,18,19,22)/p+2