azepan-1-yl-[4-(2-phenylsulfanylethoxy)phenyl]methanone

Systemtic Name: azepan-1-yl-[4-(2-phenylsulfanylethoxy)phenyl]methanone Openeye Name: azepan-1-yl-[4-(2-phenylsulfanylethoxy)phenyl]methanone CAS Name: 1-azepanyl-[4-[2-(phenylthio)ethoxy]phenyl]methanone IUPAC Name: azepan-1-yl-[4-(2-phenylsulfanylethoxy)phenyl]methanone Traditional Name: azepan-1-yl-[4-[2-(phenylthio)ethoxy]phenyl]methanone Formula: C21H25NO2S MolecularWeight: 355.4937

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)OCCSC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)OCCSC3=CC=CC=C3

InChI

InChI=1S/C21H25NO2S/c23-21(22-14-6-1-2-7-15-22)18-10-12-19(13-11-18)24-16-17-25-20-8-4-3-5-9-20/h3-5,8-13H,1-2,6-7,14-17H2