2-(3,4-dimethoxyphenyl)sulfanyl-1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(3,4-dimethoxyphenyl)sulfanyl-1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(3,4-dimethoxyphenyl)sulfanyl-1-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]ethanone CAS Name: 2-[(3,4-dimethoxyphenyl)thio]-1-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(3,4-dimethoxyphenyl)sulfanyl-1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 2-[(3,4-dimethoxyphenyl)thio]-1-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]ethanone Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)CSC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)CSC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H29N3O3S/c1-17-6-4-7-18(23-17)15-24-10-5-11-25(13-12-24)22(26)16-29-19-8-9-20(27-2)21(14-19)28-3/h4,6-9,14H,5,10-13,15-16H2,1-3H3