1-[1-benzothiophen-2-yl-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]piperazine

Systemtic Name: 1-[1-benzothiophen-2-yl-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]piperazine Openeye Name: 1-[benzothiophen-2-yl-(4-benzyloxy-3-ethoxy-phenyl)methyl]piperazine CAS Name: 1-[1-benzothiophen-2-yl-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperazine IUPAC Name: 1-[1-benzothiophen-2-yl-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperazine Traditional Name: 1-[benzothiophen-2-yl-(4-benzoxy-3-ethoxy-phenyl)methyl]piperazine Formula: C28H30N2O2S MolecularWeight: 458.615

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC3=CC=CC=C3S2)N4CCNCC4)OCC5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC3=CC=CC=C3S2)N4CCNCC4)OCC5=CC=CC=C5

InChI

InChI=1S/C28H30N2O2S/c1-2-31-25-18-23(12-13-24(25)32-20-21-8-4-3-5-9-21)28(30-16-14-29-15-17-30)27-19-22-10-6-7-11-26(22)33-27/h3-13,18-19,28-29H,2,14-17,20H2,1H3