1-(azepan-1-yl)-2-[3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]indol-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]indol-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]indol-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[3-[(2-chloro-6-fluorophenyl)methylthio]-1-indolyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[3-[(2-chloro-6-fluorophenyl)methylsulfanyl]indol-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[3-[(2-chloro-6-fluoro-benzyl)thio]indol-1-yl]ethanone Formula: C23H24ClFN2OS MolecularWeight: 430.965863

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)SCC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)SCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C23H24ClFN2OS/c24-19-9-7-10-20(25)18(19)16-29-22-14-27(21-11-4-3-8-17(21)22)15-23(28)26-12-5-1-2-6-13-26/h3-4,7-11,14H,1-2,5-6,12-13,15-16H2