2-[2-[2-(2-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[2-[2-(2-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium Openeye Name: diisopropyl-[2-[2-[2-(2-methoxyphenyl)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]ethyl]ammonium CAS Name: 2-[2-[[2-(2-methoxyphenyl)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[2-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]ethyl-di(propan-2-yl)azanium Traditional Name: diisopropyl-[2-[4-keto-2-[[2-keto-2-(2-methoxyphenyl)ethyl]thio]quinazolin-3-yl]ethyl]ammonium Formula: C25H32N3O3S+ MolecularWeight: 454.60488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC=CC=C3OC)C(C)C

Isomeric SMILES

CC(C)[NH+](CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC=CC=C3OC)C(C)C

InChI

InChI=1S/C25H31N3O3S/c1-17(2)27(18(3)4)14-15-28-24(30)19-10-6-8-12-21(19)26-25(28)32-16-22(29)20-11-7-9-13-23(20)31-5/h6-13,17-18H,14-16H2,1-5H3/p+1