3-[2-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[2-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-dimethyl-azanium Openeye Name: 3-[2-[2-(2,6-dimethylanilino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propyl-dimethyl-ammonium CAS Name: 3-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]propyl-dimethylammonium IUPAC Name: 3-[2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propyl-dimethylazanium Traditional Name: 3-[2-[[2-(2,6-dimethylanilino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]propyl-dimethyl-ammonium Formula: C23H29N4O2S+ MolecularWeight: 425.56696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O2S/c1-16-9-7-10-17(2)21(16)25-20(28)15-30-23-24-19-12-6-5-11-18(19)22(29)27(23)14-8-13-26(3)4/h5-7,9-12H,8,13-15H2,1-4H3,(H,25,28)/p+1