3-[2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-dimethyl-azanium Openeye Name: 3-[2-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propyl-dimethyl-ammonium CAS Name: 3-[2-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]propyl-dimethylammonium IUPAC Name: 3-[2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propyl-dimethylazanium Traditional Name: 3-[4-keto-2-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]quinazolin-3-yl]propyl-dimethyl-ammonium Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

C[NH+](C)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H25N3O3S/c1-24(2)13-6-14-25-21(27)18-7-4-5-8-19(18)23-22(25)29-15-20(26)16-9-11-17(28-3)12-10-16/h4-5,7-12H,6,13-15H2,1-3H3/p+1