1-[1-benzothiophen-3-yl-(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[1-benzothiophen-3-yl-(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[benzothiophen-3-yl-(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[1-benzothiophen-3-yl-(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1-benzothiophen-3-yl-(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[benzothiophen-3-yl-(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepane Formula: C23H28N2O3S MolecularWeight: 412.54502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(C2=CSC3=CC=CC=C32)N4CCCNCC4)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(C2=CSC3=CC=CC=C32)N4CCCNCC4)OC)OC

InChI

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