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

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(3-ethyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-[(3-ethyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=C(C=C(C(=C3)C)Cl)OC

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=C(C=C(C(=C3)C)Cl)OC

InChI

InChI=1S/C21H22ClN3O3S/c1-5-25-20(27)14-8-6-7-9-16(14)24-21(25)29-13(3)19(26)23-17-10-12(2)15(22)11-18(17)28-4/h6-11,13H,5H2,1-4H3,(H,23,26)