2-[(4-bromophenyl)methylsulfanyl]-1-[4-(phenylmethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-1-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-[(4-bromophenyl)methylsulfanyl]ethanone CAS Name: 2-[(4-bromophenyl)methylthio]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-[(4-bromophenyl)methylsulfanyl]ethanone Traditional Name: 1-(4-benzylpiperidino)-2-[(4-bromobenzyl)thio]ethanone Formula: C21H24BrNOS MolecularWeight: 418.39036

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSCC3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSCC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H24BrNOS/c22-20-8-6-19(7-9-20)15-25-16-21(24)23-12-10-18(11-13-23)14-17-4-2-1-3-5-17/h1-9,18H,10-16H2