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

Systemtic Name: 1-(azepan-1-yl)-3-(phenylmethylsulfanyl)propan-1-one Openeye Name: 1-(azepan-1-yl)-3-benzylsulfanyl-propan-1-one CAS Name: 1-(1-azepanyl)-3-(phenylmethylthio)-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-benzylsulfanylpropan-1-one Traditional Name: 1-(azepan-1-yl)-3-(benzylthio)propan-1-one Formula: C16H23NOS MolecularWeight: 277.42492

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCSCC2=CC=CC=C2

Isomeric SMILES

C1CCCN(CC1)C(=O)CCSCC2=CC=CC=C2

InChI

InChI=1S/C16H23NOS/c18-16(17-11-6-1-2-7-12-17)10-13-19-14-15-8-4-3-5-9-15/h3-5,8-9H,1-2,6-7,10-14H2