1-[1-benzothiophen-2-yl-(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[1-benzothiophen-2-yl-(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[benzothiophen-2-yl-(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[1-benzothiophen-2-yl-(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1-benzothiophen-2-yl-(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[asaryl(benzothiophen-2-yl)methyl]-1,4-diazepane Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(C2=CC3=CC=CC=C3S2)N4CCCNCC4)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(C2=CC3=CC=CC=C3S2)N4CCCNCC4)OC)OC

InChI

InChI=1S/C23H28N2O3S/c1-26-18-15-20(28-3)19(27-2)14-17(18)23(25-11-6-9-24-10-12-25)22-13-16-7-4-5-8-21(16)29-22/h4-5,7-8,13-15,23-24H,6,9-12H2,1-3H3