2-[3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[4-nitro-2-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[4-nitro-2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[[3-(3-methoxypropyl)-4-oxo-2-quinazolinyl]thio]-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[[4-keto-3-(3-methoxypropyl)quinazolin-2-yl]thio]-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide Formula: C21H19F3N4O5S MolecularWeight: 496.45957

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

COCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C21H19F3N4O5S/c1-33-10-4-9-27-19(30)14-5-2-3-6-16(14)26-20(27)34-12-18(29)25-17-8-7-13(28(31)32)11-15(17)21(22,23)24/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,25,29)