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

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-3-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-3-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-3-[(3-ethyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-3-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-3-[(3-ethyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C21H22ClN3O4S MolecularWeight: 447.93508

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SCCC(=O)NC3=CC(=C(C=C3OC)OC)Cl

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SCCC(=O)NC3=CC(=C(C=C3OC)OC)Cl

InChI

InChI=1S/C21H22ClN3O4S/c1-4-25-20(27)13-7-5-6-8-15(13)24-21(25)30-10-9-19(26)23-16-11-14(22)17(28-2)12-18(16)29-3/h5-8,11-12H,4,9-10H2,1-3H3,(H,23,26)