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

Systemtic Name: 2-[2-[2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethyl-dimethyl-azanium Openeye Name: 2-[2-[2-(2-chloro-4,6-dimethyl-anilino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]ethyl-dimethyl-ammonium CAS Name: 2-[2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]ethyl-dimethylammonium IUPAC Name: 2-[2-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]ethyl-dimethylazanium Traditional Name: 2-[2-[[2-(2-chloro-4,6-dimethyl-anilino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]ethyl-dimethyl-ammonium Formula: C22H26ClN4O2S+ MolecularWeight: 445.98544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC[NH+](C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC[NH+](C)C)C

InChI

InChI=1S/C22H25ClN4O2S/c1-14-11-15(2)20(17(23)12-14)25-19(28)13-30-22-24-18-8-6-5-7-16(18)21(29)27(22)10-9-26(3)4/h5-8,11-12H,9-10,13H2,1-4H3,(H,25,28)/p+1