1-[1-benzothiophen-2-yl-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[1-benzothiophen-2-yl-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[benzothiophen-2-yl-(4-benzyloxy-3,5-dimethoxy-phenyl)methyl]-1,4-diazepane CAS Name: 1-[1-benzothiophen-2-yl-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1-benzothiophen-2-yl-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[benzothiophen-2-yl-(4-benzoxy-3,5-dimethoxy-phenyl)methyl]-1,4-diazepane Formula: C29H32N2O3S MolecularWeight: 488.64098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC4=CC=CC=C4S3)N5CCCNCC5

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC4=CC=CC=C4S3)N5CCCNCC5

InChI

InChI=1S/C29H32N2O3S/c1-32-24-17-23(18-25(33-2)29(24)34-20-21-9-4-3-5-10-21)28(31-15-8-13-30-14-16-31)27-19-22-11-6-7-12-26(22)35-27/h3-7,9-12,17-19,28,30H,8,13-16,20H2,1-2H3