1-cyclohexyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-cyclohexyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-cyclohexyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]thiourea CAS Name: 1-cyclohexyl-3-[2-(4-methyl-1-piperazin-4-iumyl)-5-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-cyclohexyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-cyclohexyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]thiourea Formula: C19H28F3N4S+ MolecularWeight: 401.51263

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC3CCCCC3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC3CCCCC3

InChI

InChI=1S/C19H27F3N4S/c1-25-9-11-26(12-10-25)17-8-7-14(19(20,21)22)13-16(17)24-18(27)23-15-5-3-2-4-6-15/h7-8,13,15H,2-6,9-12H2,1H3,(H2,23,24,27)/p+1