2-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-6-fluoranyl-benzenecarbothioamide

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-6-fluoranyl-benzenecarbothioamide Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethoxy]-6-fluoro-benzenecarbothioamide CAS Name: 2-[2-(1-azepanyl)-2-oxoethoxy]-6-fluorobenzenecarbothioamide IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethoxy]-6-fluorobenzenecarbothioamide Traditional Name: 2-[2-(azepan-1-yl)-2-keto-ethoxy]-6-fluoro-thiobenzamide Formula: C15H19FN2O2S MolecularWeight: 310.386963

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC2=C(C(=CC=C2)F)C(=S)N

Isomeric SMILES

C1CCCN(CC1)C(=O)COC2=C(C(=CC=C2)F)C(=S)N

InChI

InChI=1S/C15H19FN2O2S/c16-11-6-5-7-12(14(11)15(17)21)20-10-13(19)18-8-3-1-2-4-9-18/h5-7H,1-4,8-10H2,(H2,17,21)