N-[3-fluoranyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(4-methylphenyl)sulfanyl-ethanamide

Systemtic Name: N-[3-fluoranyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(4-methylphenyl)sulfanyl-ethanamide Openeye Name: N-[3-fluoro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(p-tolylsulfanyl)acetamide CAS Name: N-[3-fluoro-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-2-[(4-methylphenyl)thio]acetamide IUPAC Name: N-[3-fluoro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(4-methylphenyl)sulfanylacetamide Traditional Name: N-[3-fluoro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(p-tolylthio)acetamide Formula: C20H25FN3OS+ MolecularWeight: 374.495403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)NC2=CC(=C(C=C2)N3CC[NH+](CC3)C)F

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)NC2=CC(=C(C=C2)N3CC[NH+](CC3)C)F

InChI

InChI=1S/C20H24FN3OS/c1-15-3-6-17(7-4-15)26-14-20(25)22-16-5-8-19(18(21)13-16)24-11-9-23(2)10-12-24/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)/p+1