[2-(2,5-dimethoxyphenyl)sulfanylpyridin-3-yl]-(3,3,5-trimethylazepan-1-yl)methanone

Systemtic Name: [2-(2,5-dimethoxyphenyl)sulfanylpyridin-3-yl]-(3,3,5-trimethylazepan-1-yl)methanone Openeye Name: [2-(2,5-dimethoxyphenyl)sulfanyl-3-pyridyl]-(3,3,5-trimethylazepan-1-yl)methanone CAS Name: [2-[(2,5-dimethoxyphenyl)thio]-3-pyridinyl]-(3,3,5-trimethyl-1-azepanyl)methanone IUPAC Name: [2-(2,5-dimethoxyphenyl)sulfanylpyridin-3-yl]-(3,3,5-trimethylazepan-1-yl)methanone Traditional Name: [2-[(2,5-dimethoxyphenyl)thio]-3-pyridyl]-(3,3,5-trimethylazepan-1-yl)methanone Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC(C1)(C)C)C(=O)C2=C(N=CC=C2)SC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC1CCN(CC(C1)(C)C)C(=O)C2=C(N=CC=C2)SC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C23H30N2O3S/c1-16-10-12-25(15-23(2,3)14-16)22(26)18-7-6-11-24-21(18)29-20-13-17(27-4)8-9-19(20)28-5/h6-9,11,13,16H,10,12,14-15H2,1-5H3