2-[(4-methoxyphenyl)methylcarbamothioyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4-methoxyphenyl)methylcarbamothioyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-methoxyphenyl)methylcarbamothioyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[(4-methoxyphenyl)methylamino]-sulfanylidenemethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-methoxyphenyl)methylcarbamothioyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(4-keto-1H-quinazolin-2-yl)methyl-(p-anisylthiocarbamoyl)amino]ethyl-dimethyl-ammonium Formula: C22H28N5O2S+ MolecularWeight: 426.55502

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=S)NCC3=CC=C(C=C3)OC

Isomeric SMILES

C[NH+](C)CCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=S)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H27N5O2S/c1-26(2)12-13-27(22(30)23-14-16-8-10-17(29-3)11-9-16)15-20-24-19-7-5-4-6-18(19)21(28)25-20/h4-11H,12-15H2,1-3H3,(H,23,30)(H,24,25,28)/p+1