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

Systemtic Name: 1-[1-benzothiophen-2-yl-(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperazine Openeye Name: 1-[benzothiophen-2-yl-(4-benzyloxy-3-methoxy-phenyl)methyl]piperazine CAS Name: 1-[1-benzothiophen-2-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine IUPAC Name: 1-[1-benzothiophen-2-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine Traditional Name: 1-[benzothiophen-2-yl-(4-benzoxy-3-methoxy-phenyl)methyl]piperazine Formula: C27H28N2O2S MolecularWeight: 444.58842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C2=CC3=CC=CC=C3S2)N4CCNCC4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=CC3=CC=CC=C3S2)N4CCNCC4)OCC5=CC=CC=C5

InChI

InChI=1S/C27H28N2O2S/c1-30-24-17-22(11-12-23(24)31-19-20-7-3-2-4-8-20)27(29-15-13-28-14-16-29)26-18-21-9-5-6-10-25(21)32-26/h2-12,17-18,27-28H,13-16,19H2,1H3