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

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-oxo-3-pentyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-oxo-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-oxo-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-amyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H19ClF3N3O2S MolecularWeight: 469.90767

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClF3N3O2S/c1-2-3-4-9-28-19(30)14-7-5-12(10-17(14)27-20(28)31)18(29)26-13-6-8-16(22)15(11-13)21(23,24)25/h5-8,10-11H,2-4,9H2,1H3,(H,26,29)(H,27,31)