N-[3-(azepan-1-ylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-fluoranyl-benzamide

Systemtic Name: N-[3-(azepan-1-ylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-fluoranyl-benzamide Openeye Name: N-[3-(azepane-1-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-fluoro-benzamide CAS Name: N-[3-[1-azepanyl(oxo)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-fluorobenzamide IUPAC Name: N-[3-(azepane-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-fluorobenzamide Traditional Name: N-[3-(azepane-1-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-fluoro-benzamide Formula: C22H25FN2O2S MolecularWeight: 400.509503

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CC=CC=C4F

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C22H25FN2O2S/c23-17-11-5-3-9-15(17)20(26)24-21-19(16-10-4-6-12-18(16)28-21)22(27)25-13-7-1-2-8-14-25/h3,5,9,11H,1-2,4,6-8,10,12-14H2,(H,24,26)