N-(2-methoxy-5-nitro-phenyl)-2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-2-(4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(2-methoxy-5-nitrophenyl)-2-[(4-oxo-3-propyl-2-quinazolinyl)thio]propanamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide Traditional Name: 2-[(4-keto-3-propyl-quinazolin-2-yl)thio]-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C21H22N4O5S MolecularWeight: 442.48818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H22N4O5S/c1-4-11-24-20(27)15-7-5-6-8-16(15)23-21(24)31-13(2)19(26)22-17-12-14(25(28)29)9-10-18(17)30-3/h5-10,12-13H,4,11H2,1-3H3,(H,22,26)