N-tert-butyl-2-[7-chloranyl-3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-tert-butyl-2-[7-chloranyl-3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-tert-butyl-2-[7-chloro-3-(o-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-tert-butyl-2-[[7-chloro-3-(2-methylphenyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-tert-butyl-2-[7-chloro-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-tert-butyl-2-[[7-chloro-4-keto-3-(o-tolyl)quinazolin-2-yl]thio]propionamide Formula: C22H24ClN3O2S MolecularWeight: 429.96286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SC(C)C(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SC(C)C(=O)NC(C)(C)C

InChI

InChI=1S/C22H24ClN3O2S/c1-13-8-6-7-9-18(13)26-20(28)16-11-10-15(23)12-17(16)24-21(26)29-14(2)19(27)25-22(3,4)5/h6-12,14H,1-5H3,(H,25,27)