2-(azepan-2-ylsulfanyl)-1-phenyl-ethanone

Systemtic Name: 2-(azepan-2-ylsulfanyl)-1-phenyl-ethanone Openeye Name: 2-(azepan-2-ylsulfanyl)-1-phenyl-ethanone CAS Name: 2-(2-azepanylthio)-1-phenylethanone IUPAC Name: 2-(azepan-2-ylsulfanyl)-1-phenylethanone Traditional Name: 2-(azepan-2-ylthio)-1-phenyl-ethanone Formula: C14H19NOS MolecularWeight: 249.37176

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(NCC1)SCC(=O)C2=CC=CC=C2

Isomeric SMILES

C1CCC(NCC1)SCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H19NOS/c16-13(12-7-3-1-4-8-12)11-17-14-9-5-2-6-10-15-14/h1,3-4,7-8,14-15H,2,5-6,9-11H2