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

Systemtic Name: 3-[2-[2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-dimethyl-azanium Openeye Name: 3-[2-[2-(4-ethoxyphenyl)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propyl-dimethyl-ammonium CAS Name: 3-[2-[[2-(4-ethoxyphenyl)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]propyl-dimethylammonium IUPAC Name: 3-[2-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propyl-dimethylazanium Traditional Name: 3-[4-keto-2-[(2-keto-2-p-phenetyl-ethyl)thio]quinazolin-3-yl]propyl-dimethyl-ammonium Formula: C23H28N3O3S+ MolecularWeight: 426.55172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC[NH+](C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC[NH+](C)C

InChI

InChI=1S/C23H27N3O3S/c1-4-29-18-12-10-17(11-13-18)21(27)16-30-23-24-20-9-6-5-8-19(20)22(28)26(23)15-7-14-25(2)3/h5-6,8-13H,4,7,14-16H2,1-3H3/p+1