2-(4-oxidanylidene-2-phenacylsulfanyl-quinazolin-3-yl)ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-(4-oxidanylidene-2-phenacylsulfanyl-quinazolin-3-yl)ethyl-di(propan-2-yl)azanium Openeye Name: diisopropyl-[2-(4-oxo-2-phenacylsulfanyl-quinazolin-3-yl)ethyl]ammonium CAS Name: 2-[4-oxo-2-(phenacylthio)-3-quinazolinyl]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-(4-oxo-2-phenacylsulfanylquinazolin-3-yl)ethyl-di(propan-2-yl)azanium Traditional Name: diisopropyl-[2-[4-keto-2-(phenacylthio)quinazolin-3-yl]ethyl]ammonium Formula: C24H30N3O2S+ MolecularWeight: 424.5789

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC=CC=C3)C(C)C

Isomeric SMILES

CC(C)[NH+](CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C24H29N3O2S/c1-17(2)26(18(3)4)14-15-27-23(29)20-12-8-9-13-21(20)25-24(27)30-16-22(28)19-10-6-5-7-11-19/h5-13,17-18H,14-16H2,1-4H3/p+1