4-oxidanylidene-3-pentyl-2-sulfanylidene-N-[4-(trifluoromethyloxy)phenyl]-1H-quinazoline-7-carboxamide

Systemtic Name: 4-oxidanylidene-3-pentyl-2-sulfanylidene-N-[4-(trifluoromethyloxy)phenyl]-1H-quinazoline-7-carboxamide Openeye Name: 4-oxo-3-pentyl-2-thioxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-3-pentyl-2-sulfanylidene-N-[4-(trifluoromethoxy)phenyl]-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-3-pentyl-2-sulfanylidene-N-[4-(trifluoromethoxy)phenyl]-1H-quinazoline-7-carboxamide Traditional Name: 3-amyl-4-keto-2-thioxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinazoline-7-carboxamide Formula: C21H20F3N3O3S MolecularWeight: 451.46201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)OC(F)(F)F)NC1=S

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)OC(F)(F)F)NC1=S

InChI

InChI=1S/C21H20F3N3O3S/c1-2-3-4-11-27-19(29)16-10-5-13(12-17(16)26-20(27)31)18(28)25-14-6-8-15(9-7-14)30-21(22,23)24/h5-10,12H,2-4,11H2,1H3,(H,25,28)(H,26,31)