dimethyl-[[2-[[3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanoylamino]methyl]phenyl]methyl]azanium

Systemtic Name: dimethyl-[[2-[[3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanoylamino]methyl]phenyl]methyl]azanium Openeye Name: dimethyl-[[2-[[3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanoylamino]methyl]phenyl]methyl]ammonium CAS Name: dimethyl-[[2-[[[1-oxo-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[2-[[3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanoylamino]methyl]phenyl]methyl]azanium Traditional Name: [2-[[3-(4-keto-2-thioxo-1H-quinazolin-3-yl)propanoylamino]methyl]benzyl]-dimethyl-ammonium Formula: C21H25N4O2S+ MolecularWeight: 397.5138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=CC=C1CNC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

C[NH+](C)CC1=CC=CC=C1CNC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C21H24N4O2S/c1-24(2)14-16-8-4-3-7-15(16)13-22-19(26)11-12-25-20(27)17-9-5-6-10-18(17)23-21(25)28/h3-10H,11-14H2,1-2H3,(H,22,26)(H,23,28)/p+1