N-[2-(azepan-1-yl)-2-thiophen-2-yl-ethyl]-5-fluoranyl-3-methyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-2-yl-ethyl]-5-fluoranyl-3-methyl-1-benzofuran-2-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-(2-thienyl)ethyl]-5-fluoro-3-methyl-benzofuran-2-carboxamide CAS Name: N-[2-(1-azepanyl)-2-thiophen-2-ylethyl]-5-fluoro-3-methyl-2-benzofurancarboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-(2-thienyl)ethyl]-5-fluoro-3-methyl-coumarilamide Formula: C22H25FN2O2S MolecularWeight: 400.509503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)F)C(=O)NCC(C3=CC=CS3)N4CCCCCC4

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)F)C(=O)NCC(C3=CC=CS3)N4CCCCCC4

InChI

InChI=1S/C22H25FN2O2S/c1-15-17-13-16(23)8-9-19(17)27-21(15)22(26)24-14-18(20-7-6-12-28-20)25-10-4-2-3-5-11-25/h6-9,12-13,18H,2-5,10-11,14H2,1H3,(H,24,26)