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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-piperonyl-7-(4-piperonylpiperazin-4-ium-1-carbonyl)-2-thioxo-1H-quinazolin-4-one Formula: C29H27N4O6S+ MolecularWeight: 559.61288

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(C=C4)C(=O)N(C(=S)N5)CC6=CC7=C(C=C6)OCO7

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(C=C4)C(=O)N(C(=S)N5)CC6=CC7=C(C=C6)OCO7

InChI

InChI=1S/C29H26N4O6S/c34-27(32-9-7-31(8-10-32)14-18-1-5-23-25(11-18)38-16-36-23)20-3-4-21-22(13-20)30-29(40)33(28(21)35)15-19-2-6-24-26(12-19)39-17-37-24/h1-6,11-13H,7-10,14-17H2,(H,30,40)/p+1