N-(2-methoxyphenyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-methoxyphenyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide CAS Name: N-(2-methoxyphenyl)-2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-methoxyphenyl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]-N-(2-methoxyphenyl)acetamide Formula: C22H25N3O3S MolecularWeight: 411.5172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3OC

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3OC

InChI

InChI=1S/C22H25N3O3S/c1-15(2)12-13-25-21(27)16-8-4-5-9-17(16)24-22(25)29-14-20(26)23-18-10-6-7-11-19(18)28-3/h4-11,15H,12-14H2,1-3H3,(H,23,26)