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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-oxo-3-propyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(4-keto-3-propyl-quinazolin-2-yl)thio]-N-veratryl-acetamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H25N3O4S/c1-4-11-25-21(27)16-7-5-6-8-17(16)24-22(25)30-14-20(26)23-13-15-9-10-18(28-2)19(12-15)29-3/h5-10,12H,4,11,13-14H2,1-3H3,(H,23,26)