N-bromanyl-2-(3-methylsulfanylpiperazin-1-yl)-2-[4-(phenylmethyl)phenyl]ethanamine

Systemtic Name: N-bromanyl-2-(3-methylsulfanylpiperazin-1-yl)-2-[4-(phenylmethyl)phenyl]ethanamine Openeye Name: 2-(4-benzylphenyl)-N-bromo-2-(3-methylsulfanylpiperazin-1-yl)ethanamine CAS Name: N-bromo-2-[3-(methylthio)-1-piperazinyl]-2-[4-(phenylmethyl)phenyl]ethanamine IUPAC Name: 2-(4-benzylphenyl)-N-bromo-2-(3-methylsulfanylpiperazin-1-yl)ethanamine Traditional Name: [2-(4-benzylphenyl)-2-[3-(methylthio)piperazino]ethyl]-bromo-amine Formula: C20H26BrN3S MolecularWeight: 420.40954

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Descriptors Computed from Structure

Canonical SMILES:

CSC1CN(CCN1)C(CNBr)C2=CC=C(C=C2)CC3=CC=CC=C3

Isomeric SMILES

CSC1CN(CCN1)C(CNBr)C2=CC=C(C=C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H26BrN3S/c1-25-20-15-24(12-11-22-20)19(14-23-21)18-9-7-17(8-10-18)13-16-5-3-2-4-6-16/h2-10,19-20,22-23H,11-15H2,1H3