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

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-3-(3-methyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-3-[(3-methyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-3-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-3-[(4-keto-3-methyl-quinazolin-2-yl)thio]propionamide Formula: C20H20ClN3O4S MolecularWeight: 433.9085

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2N=C1SCCC(=O)NC3=CC(=C(C=C3OC)OC)Cl

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2N=C1SCCC(=O)NC3=CC(=C(C=C3OC)OC)Cl

InChI

InChI=1S/C20H20ClN3O4S/c1-24-19(26)12-6-4-5-7-14(12)23-20(24)29-9-8-18(25)22-15-10-13(21)16(27-2)11-17(15)28-3/h4-7,10-11H,8-9H2,1-3H3,(H,22,25)