2-[(3-bromophenyl)methylsulfanyl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[(3-bromophenyl)methylthio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[(3-bromobenzyl)thio]-1-piperidino-ethanone Formula: C14H18BrNOS MolecularWeight: 328.26782

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSCC2=CC(=CC=C2)Br

Isomeric SMILES

C1CCN(CC1)C(=O)CSCC2=CC(=CC=C2)Br

InChI

InChI=1S/C14H18BrNOS/c15-13-6-4-5-12(9-13)10-18-11-14(17)16-7-2-1-3-8-16/h4-6,9H,1-3,7-8,10-11H2