2-[[4-[(2R)-2-phenyl-2-phenylsulfanyl-ethanoyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-[(2R)-2-phenyl-2-phenylsulfanyl-ethanoyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-[(2R)-2-phenyl-2-phenylsulfanyl-acetyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[(2R)-1-oxo-2-phenyl-2-(phenylthio)ethyl]-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-[(2R)-2-phenyl-2-phenylsulfanylacetyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-[(2R)-2-phenyl-2-(phenylthio)acetyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C27H27N4O2S+ MolecularWeight: 471.59388

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)C(=O)C(C4=CC=CC=C4)SC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)C(=O)[C@@H](C4=CC=CC=C4)SC5=CC=CC=C5

InChI

InChI=1S/C27H26N4O2S/c32-26-22-13-7-8-14-23(22)28-24(29-26)19-30-15-17-31(18-16-30)27(33)25(20-9-3-1-4-10-20)34-21-11-5-2-6-12-21/h1-14,25H,15-19H2,(H,28,29,32)/p+1/t25-/m1/s1