1-(4-fluorophenyl)-3-[3-(4-propylpiperazine-1,4-diium-1-yl)propyl]thiourea

Systemtic Name: 1-(4-fluorophenyl)-3-[3-(4-propylpiperazine-1,4-diium-1-yl)propyl]thiourea Openeye Name: 1-(4-fluorophenyl)-3-[3-(4-propylpiperazine-1,4-diium-1-yl)propyl]thiourea CAS Name: 1-(4-fluorophenyl)-3-[3-(4-propyl-1-piperazine-1,4-diiumyl)propyl]thiourea IUPAC Name: 1-(4-fluorophenyl)-3-[3-(4-propylpiperazine-1,4-diium-1-yl)propyl]thiourea Traditional Name: 1-(4-fluorophenyl)-3-[3-(4-propylpiperazine-1,4-diium-1-yl)propyl]thiourea Formula: C17H29FN4S+2 MolecularWeight: 340.502363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27FN4S/c1-2-9-21-11-13-22(14-12-21)10-3-8-19-17(23)20-16-6-4-15(18)5-7-16/h4-7H,2-3,8-14H2,1H3,(H2,19,20,23)/p+2