1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-4-(2-methylsulfanylphenyl)piperazine

Systemtic Name: 1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-4-(2-methylsulfanylphenyl)piperazine Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)methyl]-4-(2-methylsulfanylphenyl)piperazine CAS Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-[2-(methylthio)phenyl]piperazine IUPAC Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-(2-methylsulfanylphenyl)piperazine Traditional Name: 1-(4-benzoxy-3-methoxy-benzyl)-4-[2-(methylthio)phenyl]piperazine Formula: C26H30N2O2S MolecularWeight: 434.5936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2CCN(CC2)C3=CC=CC=C3SC)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)CN2CCN(CC2)C3=CC=CC=C3SC)OCC4=CC=CC=C4

InChI

InChI=1S/C26H30N2O2S/c1-29-25-18-22(12-13-24(25)30-20-21-8-4-3-5-9-21)19-27-14-16-28(17-15-27)23-10-6-7-11-26(23)31-2/h3-13,18H,14-17,19-20H2,1-2H3