1-(2-fluorophenyl)-3-[3-[4-(4-methylsulfanylphenyl)piperazin-1-ium-1-yl]propyl]urea

Systemtic Name: 1-(2-fluorophenyl)-3-[3-[4-(4-methylsulfanylphenyl)piperazin-1-ium-1-yl]propyl]urea Openeye Name: 1-(2-fluorophenyl)-3-[3-[4-(4-methylsulfanylphenyl)piperazin-1-ium-1-yl]propyl]urea CAS Name: 1-(2-fluorophenyl)-3-[3-[4-[4-(methylthio)phenyl]-1-piperazin-1-iumyl]propyl]urea IUPAC Name: 1-(2-fluorophenyl)-3-[3-[4-(4-methylsulfanylphenyl)piperazin-1-ium-1-yl]propyl]urea Traditional Name: 1-(2-fluorophenyl)-3-[3-[4-[4-(methylthio)phenyl]piperazin-1-ium-1-yl]propyl]urea Formula: C21H28FN4OS+ MolecularWeight: 403.536623

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)N2CC[NH+](CC2)CCCNC(=O)NC3=CC=CC=C3F

Isomeric SMILES

CSC1=CC=C(C=C1)N2CC[NH+](CC2)CCCNC(=O)NC3=CC=CC=C3F

InChI

InChI=1S/C21H27FN4OS/c1-28-18-9-7-17(8-10-18)26-15-13-25(14-16-26)12-4-11-23-21(27)24-20-6-3-2-5-19(20)22/h2-3,5-10H,4,11-16H2,1H3,(H2,23,24,27)/p+1