N-[(2-cyanophenyl)carbamoyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanamide

Systemtic Name: N-[(2-cyanophenyl)carbamoyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanamide Openeye Name: N-[(2-cyanophenyl)carbamoyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanamide CAS Name: N-[(2-cyanoanilino)-oxomethyl]-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]propanamide IUPAC Name: N-[(2-cyanophenyl)carbamoyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanamide Traditional Name: N-[(2-cyanophenyl)carbamoyl]-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]propionamide Formula: C20H14F3N5O2S MolecularWeight: 445.41767

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1=CC=CC=C1C#N)SC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CC(C(=O)NC(=O)NC1=CC=CC=C1C#N)SC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C20H14F3N5O2S/c1-11(16(29)27-19(30)26-14-8-4-2-6-12(14)10-24)31-17-13-7-3-5-9-15(13)25-18(28-17)20(21,22)23/h2-9,11H,1H3,(H2,26,27,29,30)