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

Systemtic Name: 1-[1-benzothiophen-3-yl-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[benzothiophen-3-yl-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[1-benzothiophen-3-yl-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1-benzothiophen-3-yl-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[benzothiophen-3-yl-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O2S/c1-25-19-9-8-16(14-20(19)26-2)22(24-12-5-10-23-11-13-24)18-15-27-21-7-4-3-6-17(18)21/h3-4,6-9,14-15,22-23H,5,10-13H2,1-2H3