3-(4-fluorophenyl)-7-(4-methylpiperazin-4-ium-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-(4-fluorophenyl)-7-(4-methylpiperazin-4-ium-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(4-fluorophenyl)-7-(4-methylpiperazin-4-ium-1-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-(4-fluorophenyl)-7-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(4-fluorophenyl)-7-(4-methylpiperazin-4-ium-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-(4-fluorophenyl)-7-(4-methylpiperazin-4-ium-1-carbonyl)-2-thioxo-1H-quinazolin-4-one Formula: C20H20FN4O2S+ MolecularWeight: 399.461803

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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=C(C=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C20H19FN4O2S/c1-23-8-10-24(11-9-23)18(26)13-2-7-16-17(12-13)22-20(28)25(19(16)27)15-5-3-14(21)4-6-15/h2-7,12H,8-11H2,1H3,(H,22,28)/p+1