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

Systemtic Name: 1-(4-fluorophenyl)-3-[3-[4-(3-methylsulfanylphenyl)piperazin-1-ium-1-yl]propyl]thiourea Openeye Name: 1-(4-fluorophenyl)-3-[3-[4-(3-methylsulfanylphenyl)piperazin-1-ium-1-yl]propyl]thiourea CAS Name: 1-(4-fluorophenyl)-3-[3-[4-[3-(methylthio)phenyl]-1-piperazin-1-iumyl]propyl]thiourea IUPAC Name: 1-(4-fluorophenyl)-3-[3-[4-(3-methylsulfanylphenyl)piperazin-1-ium-1-yl]propyl]thiourea Traditional Name: 1-(4-fluorophenyl)-3-[3-[4-[3-(methylthio)phenyl]piperazin-1-ium-1-yl]propyl]thiourea Formula: C21H28FN4S2+ MolecularWeight: 419.602223

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)N2CC[NH+](CC2)CCCNC(=S)NC3=CC=C(C=C3)F

Isomeric SMILES

CSC1=CC=CC(=C1)N2CC[NH+](CC2)CCCNC(=S)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H27FN4S2/c1-28-20-5-2-4-19(16-20)26-14-12-25(13-15-26)11-3-10-23-21(27)24-18-8-6-17(22)7-9-18/h2,4-9,16H,3,10-15H2,1H3,(H2,23,24,27)/p+1