N-[[2-(azocan-1-yl)-5-fluoranyl-phenyl]carbamothioyl]pyridine-3-carboxamide

Systemtic Name: N-[[2-(azocan-1-yl)-5-fluoranyl-phenyl]carbamothioyl]pyridine-3-carboxamide Openeye Name: N-[[2-(azocan-1-yl)-5-fluoro-phenyl]carbamothioyl]pyridine-3-carboxamide CAS Name: N-[[2-(1-azocanyl)-5-fluoroanilino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: N-[[2-(azocan-1-yl)-5-fluorophenyl]carbamothioyl]pyridine-3-carboxamide Traditional Name: N-[[2-(azocan-1-yl)-5-fluoro-phenyl]thiocarbamoyl]nicotinamide Formula: C20H23FN4OS MolecularWeight: 386.486223

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C2=C(C=C(C=C2)F)NC(=S)NC(=O)C3=CN=CC=C3

Isomeric SMILES

C1CCCN(CCC1)C2=C(C=C(C=C2)F)NC(=S)NC(=O)C3=CN=CC=C3

InChI

InChI=1S/C20H23FN4OS/c21-16-8-9-18(25-11-4-2-1-3-5-12-25)17(13-16)23-20(27)24-19(26)15-7-6-10-22-14-15/h6-10,13-14H,1-5,11-12H2,(H2,23,24,26,27)