N-(4-methylpiperazin-4-ium-1-yl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-methylpiperazin-4-ium-1-yl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-methylpiperazin-4-ium-1-yl)-2-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(4-methyl-1-piperazin-4-iumyl)-2-[[4-thiophen-2-yl-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(4-methylpiperazin-4-ium-1-yl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(4-methylpiperazin-4-ium-1-yl)-2-[[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetamide Formula: C16H19F3N5OS2+ MolecularWeight: 418.48017

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CS3

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CS3

InChI

InChI=1S/C16H18F3N5OS2/c1-23-4-6-24(7-5-23)22-14(25)10-27-15-20-11(12-3-2-8-26-12)9-13(21-15)16(17,18)19/h2-3,8-9H,4-7,10H2,1H3,(H,22,25)/p+1