N-[2-(azepan-1-yl)-5-fluoranyl-phenyl]pyridine-4-carbothioamide

Systemtic Name: N-[2-(azepan-1-yl)-5-fluoranyl-phenyl]pyridine-4-carbothioamide Openeye Name: N-[2-(azepan-1-yl)-5-fluoro-phenyl]pyridine-4-carbothioamide CAS Name: N-[2-(1-azepanyl)-5-fluorophenyl]-4-pyridinecarbothioamide IUPAC Name: N-[2-(azepan-1-yl)-5-fluorophenyl]pyridine-4-carbothioamide Traditional Name: N-[2-(azepan-1-yl)-5-fluoro-phenyl]thioisonicotinamide Formula: C18H20FN3S MolecularWeight: 329.434903

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)F)NC(=S)C3=CC=NC=C3

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)F)NC(=S)C3=CC=NC=C3

InChI

InChI=1S/C18H20FN3S/c19-15-5-6-17(22-11-3-1-2-4-12-22)16(13-15)21-18(23)14-7-9-20-10-8-14/h5-10,13H,1-4,11-12H2,(H,21,23)