1-(azepan-1-yl)-2-[3-[(4-fluorophenyl)methylsulfanyl]indol-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[3-[(4-fluorophenyl)methylsulfanyl]indol-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[3-[(4-fluorophenyl)methylsulfanyl]indol-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[3-[(4-fluorophenyl)methylthio]-1-indolyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[3-[(4-fluorophenyl)methylsulfanyl]indol-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[3-[(4-fluorobenzyl)thio]indol-1-yl]ethanone Formula: C23H25FN2OS MolecularWeight: 396.520803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)SCC4=CC=C(C=C4)F

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)SCC4=CC=C(C=C4)F

InChI

InChI=1S/C23H25FN2OS/c24-19-11-9-18(10-12-19)17-28-22-15-26(21-8-4-3-7-20(21)22)16-23(27)25-13-5-1-2-6-14-25/h3-4,7-12,15H,1-2,5-6,13-14,16-17H2