2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(5-chloranyl-2-methyl-phenyl)propanamide

Systemtic Name: 2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(5-chloranyl-2-methyl-phenyl)propanamide Openeye Name: 2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(5-chloro-2-methyl-phenyl)propanamide CAS Name: 2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-N-(5-chloro-2-methylphenyl)propanamide IUPAC Name: 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-chloro-2-methylphenyl)propanamide Traditional Name: 2-[(3-butyl-4-keto-quinazolin-2-yl)thio]-N-(5-chloro-2-methyl-phenyl)propionamide Formula: C22H24ClN3O2S MolecularWeight: 429.96286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=C(C=CC(=C3)Cl)C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=C(C=CC(=C3)Cl)C

InChI

InChI=1S/C22H24ClN3O2S/c1-4-5-12-26-21(28)17-8-6-7-9-18(17)25-22(26)29-15(3)20(27)24-19-13-16(23)11-10-14(19)2/h6-11,13,15H,4-5,12H2,1-3H3,(H,24,27)