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

Systemtic Name: 1-[1-benzothiophen-2-yl-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[benzothiophen-2-yl-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[1-benzothiophen-2-yl-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1-benzothiophen-2-yl-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[benzothiophen-2-yl-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(C2=CC3=CC=CC=C3S2)N4CCCNCC4

Isomeric SMILES

COC1=CC=CC(=C1OC)C(C2=CC3=CC=CC=C3S2)N4CCCNCC4

InChI

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