3-(1,3-benzodioxol-5-ylmethyl)-7-(4-methylpiperazin-4-ium-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-(4-methylpiperazin-4-ium-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-(4-methylpiperazin-4-ium-1-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-(4-methylpiperazin-4-ium-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-(4-methylpiperazin-4-ium-1-carbonyl)-3-piperonyl-2-thioxo-1H-quinazolin-4-one Formula: C22H23N4O4S+ MolecularWeight: 439.50742

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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)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H22N4O4S/c1-24-6-8-25(9-7-24)20(27)15-3-4-16-17(11-15)23-22(31)26(21(16)28)12-14-2-5-18-19(10-14)30-13-29-18/h2-5,10-11H,6-9,12-13H2,1H3,(H,23,31)/p+1