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

Systemtic Name: diethyl-[[4-[[3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanoylamino]methyl]phenyl]methyl]azanium Openeye Name: diethyl-[[4-[[3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanoylamino]methyl]phenyl]methyl]ammonium CAS Name: diethyl-[[4-[[[1-oxo-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[4-[[3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanoylamino]methyl]phenyl]methyl]azanium Traditional Name: diethyl-[4-[[3-(4-keto-2-thioxo-1H-quinazolin-3-yl)propanoylamino]methyl]benzyl]ammonium Formula: C23H29N4O2S+ MolecularWeight: 425.56696

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C23H28N4O2S/c1-3-26(4-2)16-18-11-9-17(10-12-18)15-24-21(28)13-14-27-22(29)19-7-5-6-8-20(19)25-23(27)30/h5-12H,3-4,13-16H2,1-2H3,(H,24,28)(H,25,30)/p+1