1-(3-chloranyl-4-fluoranyl-phenyl)-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]thiourea

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]thiourea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[3-(4-methyl-1-piperazine-1,4-diiumyl)propyl]thiourea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]thiourea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]thiourea Formula: C15H24ClFN4S+2 MolecularWeight: 346.894263

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCCNC(=S)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCNC(=S)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C15H22ClFN4S/c1-20-7-9-21(10-8-20)6-2-5-18-15(22)19-12-3-4-14(17)13(16)11-12/h3-4,11H,2,5-10H2,1H3,(H2,18,19,22)/p+2