7-(4-methylpiperazin-4-ium-1-yl)carbonyl-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazolin-4-one

Systemtic Name: 7-(4-methylpiperazin-4-ium-1-yl)carbonyl-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazolin-4-one Openeye Name: 7-(4-methylpiperazin-4-ium-1-carbonyl)-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1H-quinazolin-4-one CAS Name: 7-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazolin-4-one IUPAC Name: 7-(4-methylpiperazin-4-ium-1-carbonyl)-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazolin-4-one Traditional Name: 7-(4-methylpiperazin-4-ium-1-carbonyl)-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1H-quinazolin-4-one Formula: C21H20F3N4O2S+ MolecularWeight: 449.46931

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H19F3N4O2S/c1-26-7-9-27(10-8-26)18(29)13-5-6-16-17(11-13)25-20(31)28(19(16)30)15-4-2-3-14(12-15)21(22,23)24/h2-6,11-12H,7-10H2,1H3,(H,25,31)/p+1