1,4-bis[(4,5,6-trimethoxy-1-benzothiophen-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1,4-bis[(4,5,6-trimethoxy-1-benzothiophen-2-yl)methyl]-1,4-diazepane Openeye Name: 1,4-bis[(4,5,6-trimethoxybenzothiophen-2-yl)methyl]-1,4-diazepane CAS Name: 1,4-bis[(4,5,6-trimethoxy-1-benzothiophen-2-yl)methyl]-1,4-diazepane IUPAC Name: 1,4-bis[(4,5,6-trimethoxy-1-benzothiophen-2-yl)methyl]-1,4-diazepane Traditional Name: 1,4-bis[(4,5,6-trimethoxybenzothiophen-2-yl)methyl]-1,4-diazepane Formula: C29H36N2O6S2 MolecularWeight: 572.73594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C(S2)CN3CCCN(CC3)CC4=CC5=C(S4)C=C(C(=C5OC)OC)OC)C(=C1OC)OC

Isomeric SMILES

COC1=CC2=C(C=C(S2)CN3CCCN(CC3)CC4=CC5=C(S4)C=C(C(=C5OC)OC)OC)C(=C1OC)OC

InChI

InChI=1S/C29H36N2O6S2/c1-32-22-14-24-20(26(34-3)28(22)36-5)12-18(38-24)16-30-8-7-9-31(11-10-30)17-19-13-21-25(39-19)15-23(33-2)29(37-6)27(21)35-4/h12-15H,7-11,16-17H2,1-6H3