3-fluoranyl-N-[(3S)-2-oxidanylideneazepan-3-yl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide

Systemtic Name: 3-fluoranyl-N-[(3S)-2-oxidanylideneazepan-3-yl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide Openeye Name: 3-fluoro-N-[(3S)-2-oxoazepan-3-yl]-N-[[3-[2-(3-thienyl)ethoxy]phenyl]methyl]benzamide CAS Name: 3-fluoro-N-[(3S)-2-oxo-3-azepanyl]-N-[[3-[2-(3-thiophenyl)ethoxy]phenyl]methyl]benzamide IUPAC Name: 3-fluoro-N-[(3S)-2-oxoazepan-3-yl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide Traditional Name: 3-fluoro-N-[(3S)-2-ketoazepan-3-yl]-N-[3-[2-(3-thienyl)ethoxy]benzyl]benzamide Formula: C26H27FN2O3S MolecularWeight: 466.567583

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N(CC2=CC(=CC=C2)OCCC3=CSC=C3)C(=O)C4=CC(=CC=C4)F

Isomeric SMILES

C1CCNC(=O)[C@H](C1)N(CC2=CC(=CC=C2)OCCC3=CSC=C3)C(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C26H27FN2O3S/c27-22-7-4-6-21(16-22)26(31)29(24-9-1-2-12-28-25(24)30)17-20-5-3-8-23(15-20)32-13-10-19-11-14-33-18-19/h3-8,11,14-16,18,24H,1-2,9-10,12-13,17H2,(H,28,30)/t24-/m0/s1