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

Systemtic Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-3-(furan-2-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-3-(2-furylmethyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-3-(2-furanylmethyl)-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-3-(furan-2-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-(2-furfuryl)-7-(4-piperonylpiperazin-4-ium-1-carbonyl)-2-thioxo-1H-quinazolin-4-one Formula: C26H25N4O5S+ MolecularWeight: 505.5655

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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=CC=CO6

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=CC=CO6

InChI

InChI=1S/C26H24N4O5S/c31-24(29-9-7-28(8-10-29)14-17-3-6-22-23(12-17)35-16-34-22)18-4-5-20-21(13-18)27-26(36)30(25(20)32)15-19-2-1-11-33-19/h1-6,11-13H,7-10,14-16H2,(H,27,36)/p+1