1-[1-benzothiophen-3-yl-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[1-benzothiophen-3-yl-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[benzothiophen-3-yl-(4-benzyloxy-3-ethoxy-phenyl)methyl]-1,4-diazepane CAS Name: 1-[1-benzothiophen-3-yl-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1-benzothiophen-3-yl-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[benzothiophen-3-yl-(4-benzoxy-3-ethoxy-phenyl)methyl]-1,4-diazepane Formula: C29H32N2O2S MolecularWeight: 472.64158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CSC3=CC=CC=C32)N4CCCNCC4)OCC5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CSC3=CC=CC=C32)N4CCCNCC4)OCC5=CC=CC=C5

InChI

InChI=1S/C29H32N2O2S/c1-2-32-27-19-23(13-14-26(27)33-20-22-9-4-3-5-10-22)29(31-17-8-15-30-16-18-31)25-21-34-28-12-7-6-11-24(25)28/h3-7,9-14,19,21,29-30H,2,8,15-18,20H2,1H3