2-fluoranyl-N-[4-(pyridin-3-ylmethylcarbamothioylamino)phenyl]benzamide

Systemtic Name: 2-fluoranyl-N-[4-(pyridin-3-ylmethylcarbamothioylamino)phenyl]benzamide Openeye Name: 2-fluoro-N-[4-(3-pyridylmethylcarbamothioylamino)phenyl]benzamide CAS Name: 2-fluoro-N-[4-[[(3-pyridinylmethylamino)-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 2-fluoro-N-[4-(pyridin-3-ylmethylcarbamothioylamino)phenyl]benzamide Traditional Name: 2-fluoro-N-[4-(3-pyridylmethylthiocarbamoylamino)phenyl]benzamide Formula: C20H17FN4OS MolecularWeight: 380.438583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NCC3=CN=CC=C3)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NCC3=CN=CC=C3)F

InChI

InChI=1S/C20H17FN4OS/c21-18-6-2-1-5-17(18)19(26)24-15-7-9-16(10-8-15)25-20(27)23-13-14-4-3-11-22-12-14/h1-12H,13H2,(H,24,26)(H2,23,25,27)