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

Systemtic Name: 4-oxidanylidene-3-pentyl-2-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide Openeye Name: 4-oxo-3-pentyl-2-thioxo-N-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-3-pentyl-2-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-3-pentyl-2-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide Traditional Name: 3-amyl-4-keto-2-thioxo-N-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide Formula: C21H20F3N3O2S MolecularWeight: 435.46261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20F3N3O2S/c1-2-3-4-10-27-19(29)16-9-8-13(11-17(16)26-20(27)30)18(28)25-15-7-5-6-14(12-15)21(22,23)24/h5-9,11-12H,2-4,10H2,1H3,(H,25,28)(H,26,30)