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

Systemtic Name: 2-fluoranyl-N-[4-(2-pyridin-4-ylethylcarbamothioylamino)phenyl]benzamide Openeye Name: 2-fluoro-N-[4-[2-(4-pyridyl)ethylcarbamothioylamino]phenyl]benzamide CAS Name: 2-fluoro-N-[4-[[(2-pyridin-4-ylethylamino)-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 2-fluoro-N-[4-(2-pyridin-4-ylethylcarbamothioylamino)phenyl]benzamide Traditional Name: 2-fluoro-N-[4-[2-(4-pyridyl)ethylthiocarbamoylamino]phenyl]benzamide Formula: C21H19FN4OS MolecularWeight: 394.465163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NCCC3=CC=NC=C3)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NCCC3=CC=NC=C3)F

InChI

InChI=1S/C21H19FN4OS/c22-19-4-2-1-3-18(19)20(27)25-16-5-7-17(8-6-16)26-21(28)24-14-11-15-9-12-23-13-10-15/h1-10,12-13H,11,14H2,(H,25,27)(H2,24,26,28)