2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-nitrophenyl)ethanamide

Systemtic Name: 2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-nitrophenyl)ethanamide Openeye Name: 2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-nitrophenyl)acetamide CAS Name: 2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]-N-(2-nitrophenyl)acetamide IUPAC Name: 2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-nitrophenyl)acetamide Traditional Name: 2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]-N-(2-nitrophenyl)acetamide Formula: C22H24N4O4S MolecularWeight: 440.51536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O4S/c1-2-3-4-9-14-25-21(28)16-10-5-6-11-17(16)24-22(25)31-15-20(27)23-18-12-7-8-13-19(18)26(29)30/h5-8,10-13H,2-4,9,14-15H2,1H3,(H,23,27)