2-[[(2S)-butan-2-yl]-(2-pyridin-2-ylsulfanylethanoyl)amino]-N-(2,3-dimethylphenyl)ethanamide

Systemtic Name: 2-[[(2S)-butan-2-yl]-(2-pyridin-2-ylsulfanylethanoyl)amino]-N-(2,3-dimethylphenyl)ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[[(1S)-1-methylpropyl]-[2-(2-pyridylsulfanyl)acetyl]amino]acetamide CAS Name: 2-[[(2S)-butan-2-yl]-[1-oxo-2-(2-pyridinylthio)ethyl]amino]-N-(2,3-dimethylphenyl)acetamide IUPAC Name: 2-[[(2S)-butan-2-yl]-(2-pyridin-2-ylsulfanylacetyl)amino]-N-(2,3-dimethylphenyl)acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[[(1S)-1-methylpropyl]-[2-(2-pyridylthio)acetyl]amino]acetamide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC(=O)NC1=CC=CC(=C1C)C)C(=O)CSC2=CC=CC=N2

Isomeric SMILES

CC[C@H](C)N(CC(=O)NC1=CC=CC(=C1C)C)C(=O)CSC2=CC=CC=N2

InChI

InChI=1S/C21H27N3O2S/c1-5-16(3)24(21(26)14-27-20-11-6-7-12-22-20)13-19(25)23-18-10-8-9-15(2)17(18)4/h6-12,16H,5,13-14H2,1-4H3,(H,23,25)/t16-/m0/s1