1-(4-chloranyl-3-fluoranyl-phenyl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea

Systemtic Name: 1-(4-chloranyl-3-fluoranyl-phenyl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea Openeye Name: 1-(4-chloro-3-fluoro-phenyl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea CAS Name: 1-(4-chloro-3-fluorophenyl)-3-(4-methyl-1-piperazin-4-iumyl)thiourea IUPAC Name: 1-(4-chloro-3-fluorophenyl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea Traditional Name: 1-(4-chloro-3-fluoro-phenyl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea Formula: C12H17ClFN4S+ MolecularWeight: 303.806583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16ClFN4S/c1-17-4-6-18(7-5-17)16-12(19)15-9-2-3-10(13)11(14)8-9/h2-3,8H,4-7H2,1H3,(H2,15,16,19)/p+1