N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-fluoranyl-phenyl]carbamothioyl]pyridine-3-carboxamide

Systemtic Name: N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-fluoranyl-phenyl]carbamothioyl]pyridine-3-carboxamide Openeye Name: N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-fluoro-phenyl]carbamothioyl]pyridine-3-carboxamide CAS Name: N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-fluoroanilino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-fluorophenyl]carbamothioyl]pyridine-3-carboxamide Traditional Name: N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-fluoro-phenyl]thiocarbamoyl]nicotinamide Formula: C22H19FN4OS MolecularWeight: 406.475863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=S)NC(=O)C4=CN=CC=C4)F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=S)NC(=O)C4=CN=CC=C4)F

InChI

InChI=1S/C22H19FN4OS/c23-19-12-18(25-22(29)26-21(28)16-6-3-10-24-13-16)7-8-20(19)27-11-9-15-4-1-2-5-17(15)14-27/h1-8,10,12-13H,9,11,14H2,(H2,25,26,28,29)