4-(quinolin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3-carboxamide

Systemtic Name: 4-(quinolin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3-carboxamide Openeye Name: 4-(4-quinolylmethylamino)-N-[3-(trifluoromethyl)phenyl]isothiazole-3-carboxamide CAS Name: 4-(4-quinolinylmethylamino)-N-[3-(trifluoromethyl)phenyl]-3-isothiazolecarboxamide IUPAC Name: 4-(quinolin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3-carboxamide Traditional Name: 4-(4-quinolylmethylamino)-N-[3-(trifluoromethyl)phenyl]isothiazole-3-carboxamide Formula: C21H15F3N4OS MolecularWeight: 428.43021

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=N2)CNC3=CSN=C3C(=O)NC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=N2)CNC3=CSN=C3C(=O)NC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H15F3N4OS/c22-21(23,24)14-4-3-5-15(10-14)27-20(29)19-18(12-30-28-19)26-11-13-8-9-25-17-7-2-1-6-16(13)17/h1-10,12,26H,11H2,(H,27,29)