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

Systemtic Name: 3-[2-[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-dimethyl-azanium Openeye Name: 3-[2-[2-(2,4-dimethylphenyl)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propyl-dimethyl-ammonium CAS Name: 3-[2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]propyl-dimethylammonium IUPAC Name: 3-[2-[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propyl-dimethylazanium Traditional Name: 3-[2-[[2-(2,4-dimethylphenyl)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]propyl-dimethyl-ammonium Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC[NH+](C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC[NH+](C)C)C

InChI

InChI=1S/C23H27N3O2S/c1-16-10-11-18(17(2)14-16)21(27)15-29-23-24-20-9-6-5-8-19(20)22(28)26(23)13-7-12-25(3)4/h5-6,8-11,14H,7,12-13,15H2,1-4H3/p+1