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

Systemtic Name: 3-(furan-2-ylmethyl)-7-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-(4-benzylpiperazin-4-ium-1-carbonyl)-3-(2-furylmethyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-(2-furanylmethyl)-7-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-(4-benzylpiperazin-4-ium-1-carbonyl)-3-(furan-2-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-(4-benzylpiperazin-4-ium-1-carbonyl)-3-(2-furfuryl)-2-thioxo-1H-quinazolin-4-one Formula: C25H25N4O3S+ MolecularWeight: 461.556

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC=CO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC=CO5

InChI

InChI=1S/C25H24N4O3S/c30-23(28-12-10-27(11-13-28)16-18-5-2-1-3-6-18)19-8-9-21-22(15-19)26-25(33)29(24(21)31)17-20-7-4-14-32-20/h1-9,14-15H,10-13,16-17H2,(H,26,33)/p+1