1-[7-(2,4-dimethoxyphenyl)-5-(3-fluoranyl-4-methoxy-phenyl)-1,4-thiazepan-4-yl]ethanone

Systemtic Name: 1-[7-(2,4-dimethoxyphenyl)-5-(3-fluoranyl-4-methoxy-phenyl)-1,4-thiazepan-4-yl]ethanone Openeye Name: 1-[7-(2,4-dimethoxyphenyl)-5-(3-fluoro-4-methoxy-phenyl)-1,4-thiazepan-4-yl]ethanone CAS Name: 1-[7-(2,4-dimethoxyphenyl)-5-(3-fluoro-4-methoxyphenyl)-1,4-thiazepan-4-yl]ethanone IUPAC Name: 1-[7-(2,4-dimethoxyphenyl)-5-(3-fluoro-4-methoxyphenyl)-1,4-thiazepan-4-yl]ethanone Traditional Name: 1-[7-(2,4-dimethoxyphenyl)-5-(3-fluoro-4-methoxy-phenyl)-1,4-thiazepan-4-yl]ethanone Formula: C22H26FNO4S MolecularWeight: 419.509543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCSC(CC1C2=CC(=C(C=C2)OC)F)C3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CC(=O)N1CCSC(CC1C2=CC(=C(C=C2)OC)F)C3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C22H26FNO4S/c1-14(25)24-9-10-29-22(17-7-6-16(26-2)12-21(17)28-4)13-19(24)15-5-8-20(27-3)18(23)11-15/h5-8,11-12,19,22H,9-10,13H2,1-4H3