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

Systemtic Name: N-[3-(azepan-1-ylcarbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-fluoranyl-benzamide Openeye Name: N-[3-(azepane-1-carbonyl)-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-fluoro-benzamide CAS Name: N-[3-[1-azepanyl(oxo)methyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-fluorobenzamide IUPAC Name: N-[3-(azepane-1-carbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-fluorobenzamide Traditional Name: N-[3-(azepane-1-carbonyl)-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-fluoro-benzamide Formula: C23H27FN2O2S MolecularWeight: 414.536083

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N3CCCCCC3)NC(=O)C4=CC=CC=C4F

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)N3CCCCCC3)NC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C23H27FN2O2S/c1-15-10-11-17-19(14-15)29-22(25-21(27)16-8-4-5-9-18(16)24)20(17)23(28)26-12-6-2-3-7-13-26/h4-5,8-9,15H,2-3,6-7,10-14H2,1H3,(H,25,27)