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

Systemtic Name: 1-[1-benzothiophen-2-yl-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[benzothiophen-2-yl-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[1-benzothiophen-2-yl-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1-benzothiophen-2-yl-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[benzothiophen-2-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=CC3=CC=CC=C3S2)N4CCCNCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC3=CC=CC=C3S2)N4CCCNCC4)OC

InChI

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