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

Systemtic Name: 2-[(4-ethylphenyl)carbamothioyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-ethylphenyl)carbamothioyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(4-ethylanilino)-sulfanylidenemethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-ethylphenyl)carbamothioyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(4-ethylphenyl)thiocarbamoyl-[(4-keto-1H-quinazolin-2-yl)methyl]amino]ethyl-dimethyl-ammonium Formula: C22H28N5OS+ MolecularWeight: 410.55562

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)N(CC[NH+](C)C)CC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)N(CC[NH+](C)C)CC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C22H27N5OS/c1-4-16-9-11-17(12-10-16)23-22(29)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,23,29)(H,24,25,28)/p+1