N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3-methyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-homoveratryl-2-[(4-keto-3-methyl-quinazolin-2-yl)thio]acetamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H23N3O4S/c1-24-20(26)15-6-4-5-7-16(15)23-21(24)29-13-19(25)22-11-10-14-8-9-17(27-2)18(12-14)28-3/h4-9,12H,10-11,13H2,1-3H3,(H,22,25)