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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC(C)C

InChI

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