3-[(2-methoxyphenyl)methyl]-7-(4-methylpiperazin-4-ium-1-yl)carbonyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-[(2-methoxyphenyl)methyl]-7-(4-methylpiperazin-4-ium-1-yl)carbonyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-[(2-methoxyphenyl)methyl]-7-(4-methylpiperazin-4-ium-1-carbonyl)-2-thioxo-quinazolin-4-olate CAS Name: 3-[(2-methoxyphenyl)methyl]-7-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-[(2-methoxyphenyl)methyl]-7-(4-methylpiperazin-4-ium-1-carbonyl)-2-sulfanylidenequinazolin-4-olate Traditional Name: 7-(4-methylpiperazin-4-ium-1-carbonyl)-3-o-anisyl-2-thioxo-quinazolin-4-olate Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])CC4=CC=CC=C4OC

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])CC4=CC=CC=C4OC

InChI

InChI=1S/C22H24N4O3S/c1-24-9-11-25(12-10-24)20(27)15-7-8-17-18(13-15)23-22(30)26(21(17)28)14-16-5-3-4-6-19(16)29-2/h3-8,13,28H,9-12,14H2,1-2H3