3-bromanyl-1-[4-methylsulfanyl-2-(phenylmethyl)phenyl]piperazine

Systemtic Name: 3-bromanyl-1-[4-methylsulfanyl-2-(phenylmethyl)phenyl]piperazine Openeye Name: 1-(2-benzyl-4-methylsulfanyl-phenyl)-3-bromo-piperazine CAS Name: 3-bromo-1-[4-(methylthio)-2-(phenylmethyl)phenyl]piperazine IUPAC Name: 1-(2-benzyl-4-methylsulfanylphenyl)-3-bromopiperazine Traditional Name: 1-[2-benzyl-4-(methylthio)phenyl]-3-bromo-piperazine Formula: C18H21BrN2S MolecularWeight: 377.34174

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)N2CCNC(C2)Br)CC3=CC=CC=C3

Isomeric SMILES

CSC1=CC(=C(C=C1)N2CCNC(C2)Br)CC3=CC=CC=C3

InChI

InChI=1S/C18H21BrN2S/c1-22-16-7-8-17(21-10-9-20-18(19)13-21)15(12-16)11-14-5-3-2-4-6-14/h2-8,12,18,20H,9-11,13H2,1H3