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

Systemtic Name: 1-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]thiourea CAS Name: 1-[2-(4-methyl-1-piperazin-4-iumyl)-5-(trifluoromethyl)phenyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-benzyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]thiourea Formula: C20H24F3N4S+ MolecularWeight: 409.49157

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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)NCC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C20H23F3N4S/c1-26-9-11-27(12-10-26)18-8-7-16(20(21,22)23)13-17(18)25-19(28)24-14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H2,24,25,28)/p+1