N-[[2-(azepan-1-yl)-4-oxidanylidene-1,3-thiazol-5-yl]methyl]-2-fluoranyl-benzamide

Systemtic Name: N-[[2-(azepan-1-yl)-4-oxidanylidene-1,3-thiazol-5-yl]methyl]-2-fluoranyl-benzamide Openeye Name: N-[[2-(azepan-1-yl)-4-oxo-thiazol-5-yl]methyl]-2-fluoro-benzamide CAS Name: N-[[2-(1-azepanyl)-4-oxo-5-thiazolyl]methyl]-2-fluorobenzamide IUPAC Name: N-[[2-(azepan-1-yl)-4-oxo-1,3-thiazol-5-yl]methyl]-2-fluorobenzamide Traditional Name: N-[[2-(azepan-1-yl)-4-keto-2-thiazolin-5-yl]methyl]-2-fluoro-benzamide Formula: C17H20FN3O2S MolecularWeight: 349.423003

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=O)C(S2)CNC(=O)C3=CC=CC=C3F

Isomeric SMILES

C1CCCN(CC1)C2=NC(=O)C(S2)CNC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C17H20FN3O2S/c18-13-8-4-3-7-12(13)15(22)19-11-14-16(23)20-17(24-14)21-9-5-1-2-6-10-21/h3-4,7-8,14H,1-2,5-6,9-11H2,(H,19,22)