3-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]propyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-2-thioxo-1H-quinazolin-4-one Formula: C22H27N4O2S+ MolecularWeight: 411.54038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C22H26N4O2S/c1-28-18-9-7-17(8-10-18)25-15-13-24(14-16-25)11-4-12-26-21(27)19-5-2-3-6-20(19)23-22(26)29/h2-3,5-10H,4,11-16H2,1H3,(H,23,29)/p+1