2-(3,4-dimethoxyphenyl)sulfanyl-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(3,4-dimethoxyphenyl)sulfanyl-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(3,4-dimethoxyphenyl)sulfanyl-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone CAS Name: 2-[(3,4-dimethoxyphenyl)thio]-1-[4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(3,4-dimethoxyphenyl)sulfanyl-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 2-[(3,4-dimethoxyphenyl)thio]-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)C(=O)CSC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)C(=O)CSC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H28N4O3S/c1-22-10-7-21-19(22)14-23-8-4-9-24(12-11-23)20(25)15-28-16-5-6-17(26-2)18(13-16)27-3/h5-7,10,13H,4,8-9,11-12,14-15H2,1-3H3