2-[(3,5-dimethylphenyl)carbamothioyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(3,5-dimethylphenyl)carbamothioyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(3,5-dimethylphenyl)carbamothioyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3,5-dimethylanilino)-sulfanylidenemethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(3,5-dimethylphenyl)carbamothioyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(3,5-dimethylphenyl)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:

CC1=CC(=CC(=C1)NC(=S)N(CC[NH+](C)C)CC2=NC(=O)C3=CC=CC=C3N2)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)N(CC[NH+](C)C)CC2=NC(=O)C3=CC=CC=C3N2)C

InChI

InChI=1S/C22H27N5OS/c1-15-11-16(2)13-17(12-15)23-22(29)27(10-9-26(3)4)14-20-24-19-8-6-5-7-18(19)21(28)25-20/h5-8,11-13H,9-10,14H2,1-4H3,(H,23,29)(H,24,25,28)/p+1