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

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-7-(4-methylpiperazin-4-ium-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-7-(4-methylpiperazin-4-ium-1-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-(3-chloro-4-fluorophenyl)-7-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(3-chloro-4-fluorophenyl)-7-(4-methylpiperazin-4-ium-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-7-(4-methylpiperazin-4-ium-1-carbonyl)-2-thioxo-1H-quinazolin-4-one Formula: C20H19ClFN4O2S+ MolecularWeight: 433.906863

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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)Cl

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)Cl

InChI

InChI=1S/C20H18ClFN4O2S/c1-24-6-8-25(9-7-24)18(27)12-2-4-14-17(10-12)23-20(29)26(19(14)28)13-3-5-16(22)15(21)11-13/h2-5,10-11H,6-9H2,1H3,(H,23,29)/p+1