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

Systemtic Name: 1-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]-3-phenethyl-thiourea Openeye Name: 1-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]-3-phenethyl-thiourea CAS Name: 1-[2-(4-methyl-1-piperazin-4-iumyl)-5-(trifluoromethyl)phenyl]-3-phenethylthiourea IUPAC Name: 1-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]-3-phenethylthiourea Traditional Name: 1-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]-3-phenethyl-thiourea Formula: C21H26F3N4S+ MolecularWeight: 423.51815

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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)NCCC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H25F3N4S/c1-27-11-13-28(14-12-27)19-8-7-17(21(22,23)24)15-18(19)26-20(29)25-10-9-16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3,(H2,25,26,29)/p+1