4-fluoranyl-3-(3-pyridin-4-ylpropoxymethyl)benzenecarbothioamide

Systemtic Name: 4-fluoranyl-3-(3-pyridin-4-ylpropoxymethyl)benzenecarbothioamide Openeye Name: 4-fluoro-3-[3-(4-pyridyl)propoxymethyl]benzenecarbothioamide CAS Name: 4-fluoro-3-(3-pyridin-4-ylpropoxymethyl)benzenecarbothioamide IUPAC Name: 4-fluoro-3-(3-pyridin-4-ylpropoxymethyl)benzenecarbothioamide Traditional Name: 4-fluoro-3-[3-(4-pyridyl)propoxymethyl]thiobenzamide Formula: C16H17FN2OS MolecularWeight: 304.382383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=S)N)COCCCC2=CC=NC=C2)F

Isomeric SMILES

C1=CC(=C(C=C1C(=S)N)COCCCC2=CC=NC=C2)F

InChI

InChI=1S/C16H17FN2OS/c17-15-4-3-13(16(18)21)10-14(15)11-20-9-1-2-12-5-7-19-8-6-12/h3-8,10H,1-2,9,11H2,(H2,18,21)