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

Systemtic Name: 1-[1-benzothiophen-3-yl-(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperazine Openeye Name: 1-[benzothiophen-3-yl-(4-benzyloxy-3-methoxy-phenyl)methyl]piperazine CAS Name: 1-[1-benzothiophen-3-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine IUPAC Name: 1-[1-benzothiophen-3-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine Traditional Name: 1-[benzothiophen-3-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=CSC3=CC=CC=C32)N4CCNCC4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=CSC3=CC=CC=C32)N4CCNCC4)OCC5=CC=CC=C5

InChI

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