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

Systemtic Name: 2-(3-butan-2-yl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]ethanamide Openeye Name: N-[(4-methoxyphenyl)methyl]-2-(4-oxo-3-sec-butyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: 2-[(3-butan-2-yl-4-oxo-2-quinazolinyl)thio]-N-[(4-methoxyphenyl)methyl]acetamide IUPAC Name: 2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide Traditional Name: 2-[(4-keto-3-sec-butyl-quinazolin-2-yl)thio]-N-p-anisyl-acetamide Formula: C22H25N3O3S MolecularWeight: 411.5172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC3=CC=C(C=C3)OC

Isomeric SMILES

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H25N3O3S/c1-4-15(2)25-21(27)18-7-5-6-8-19(18)24-22(25)29-14-20(26)23-13-16-9-11-17(28-3)12-10-16/h5-12,15H,4,13-14H2,1-3H3,(H,23,26)