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

Systemtic Name: 3-[(2-methoxyphenyl)methyl]-7-(4-methylpiperazin-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[(2-methoxyphenyl)methyl]-7-(4-methylpiperazine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[(2-methoxyphenyl)methyl]-7-[(4-methyl-1-piperazinyl)-oxomethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[(2-methoxyphenyl)methyl]-7-(4-methylpiperazine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-(4-methylpiperazine-1-carbonyl)-3-o-anisyl-2-thioxo-1H-quinazolin-4-one Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CC=C4OC

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)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/h3-8,13H,9-12,14H2,1-2H3,(H,23,30)