2-[7-chloranyl-3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methylpropyl)ethanamide

Systemtic Name: 2-[7-chloranyl-3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methylpropyl)ethanamide Openeye Name: 2-[7-chloro-4-oxo-3-(p-tolyl)quinazolin-2-yl]sulfanyl-N-isobutyl-acetamide CAS Name: 2-[[7-chloro-3-(4-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(2-methylpropyl)acetamide IUPAC Name: 2-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylpropyl)acetamide Traditional Name: 2-[[7-chloro-4-keto-3-(p-tolyl)quinazolin-2-yl]thio]-N-isobutyl-acetamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)NCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)NCC(C)C

InChI

InChI=1S/C21H22ClN3O2S/c1-13(2)11-23-19(26)12-28-21-24-18-10-15(22)6-9-17(18)20(27)25(21)16-7-4-14(3)5-8-16/h4-10,13H,11-12H2,1-3H3,(H,23,26)