2-(4-methylquinolin-2-yl)sulfanyl-N-[2,2,2-tris(fluoranyl)ethylcarbamoyl]propanamide

Systemtic Name: 2-(4-methylquinolin-2-yl)sulfanyl-N-[2,2,2-tris(fluoranyl)ethylcarbamoyl]propanamide Openeye Name: 2-[(4-methyl-2-quinolyl)sulfanyl]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide CAS Name: 2-[(4-methyl-2-quinolinyl)thio]-N-[oxo-(2,2,2-trifluoroethylamino)methyl]propanamide IUPAC Name: 2-(4-methylquinolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)propanamide Traditional Name: 2-[(4-methyl-2-quinolyl)thio]-N-(2,2,2-trifluoroethylcarbamoyl)propionamide Formula: C16H16F3N3O2S MolecularWeight: 371.37735

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SC(C)C(=O)NC(=O)NCC(F)(F)F

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SC(C)C(=O)NC(=O)NCC(F)(F)F

InChI

InChI=1S/C16H16F3N3O2S/c1-9-7-13(21-12-6-4-3-5-11(9)12)25-10(2)14(23)22-15(24)20-8-16(17,18)19/h3-7,10H,8H2,1-2H3,(H2,20,22,23,24)