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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N(CC[NH+](C)C)CC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N(CC[NH+](C)C)CC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C22H27N5O2S/c1-4-29-17-11-9-16(10-12-17)23-22(30)27(14-13-26(2)3)15-20-24-19-8-6-5-7-18(19)21(28)25-20/h5-12H,4,13-15H2,1-3H3,(H,23,30)(H,24,25,28)/p+1