2-methoxyethyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: 2-methoxyethyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: 2-methoxyethyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: 2-methoxyethyl-[2-[2-(methylthio)anilino]-2-oxoethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: 2-methoxyethyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: [2-keto-2-[2-(methylthio)anilino]ethyl]-[(4-keto-1H-quinazolin-2-yl)methyl]-(2-methoxyethyl)ammonium Formula: C21H25N4O3S+ MolecularWeight: 413.5132

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Descriptors Computed from Structure

Canonical SMILES:

COCC[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3=CC=CC=C3SC

Isomeric SMILES

COCC[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C21H24N4O3S/c1-28-12-11-25(14-20(26)23-17-9-5-6-10-18(17)29-2)13-19-22-16-8-4-3-7-15(16)21(27)24-19/h3-10H,11-14H2,1-2H3,(H,23,26)(H,22,24,27)/p+1