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

Systemtic Name: 2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(3-chloranyl-4-methoxy-phenyl)propanamide Openeye Name: 2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(3-chloro-4-methoxy-phenyl)propanamide CAS Name: 2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-N-(3-chloro-4-methoxyphenyl)propanamide IUPAC Name: 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-chloro-4-methoxyphenyl)propanamide Traditional Name: 2-[(3-butyl-4-keto-quinazolin-2-yl)thio]-N-(3-chloro-4-methoxy-phenyl)propionamide Formula: C22H24ClN3O3S MolecularWeight: 445.96226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O3S/c1-4-5-12-26-21(28)16-8-6-7-9-18(16)25-22(26)30-14(2)20(27)24-15-10-11-19(29-3)17(23)13-15/h6-11,13-14H,4-5,12H2,1-3H3,(H,24,27)