1-(azepan-1-yl)-3-phenylsulfanyl-propan-1-one

Systemtic Name: 1-(azepan-1-yl)-3-phenylsulfanyl-propan-1-one Openeye Name: 1-(azepan-1-yl)-3-phenylsulfanyl-propan-1-one CAS Name: 1-(1-azepanyl)-3-(phenylthio)-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-phenylsulfanylpropan-1-one Traditional Name: 1-(azepan-1-yl)-3-(phenylthio)propan-1-one Formula: C15H21NOS MolecularWeight: 263.39834

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCSC2=CC=CC=C2

Isomeric SMILES

C1CCCN(CC1)C(=O)CCSC2=CC=CC=C2

InChI

InChI=1S/C15H21NOS/c17-15(16-11-6-1-2-7-12-16)10-13-18-14-8-4-3-5-9-14/h3-5,8-9H,1-2,6-7,10-13H2