(2S)-N-(4-ethoxyphenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-(4-ethoxyphenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide Openeye Name: (2S)-N-(4-ethoxyphenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide CAS Name: (2S)-N-(4-ethoxyphenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanamide IUPAC Name: (2S)-N-(4-ethoxyphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide Traditional Name: (2S)-2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]-N-p-phenetyl-propionamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)SC2=NC(=CC(=N2)C)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=NC(=CC(=N2)C)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O2S/c1-4-27-19-12-10-18(11-13-19)24-21(26)16(3)28-22-23-15(2)14-20(25-22)17-8-6-5-7-9-17/h5-14,16H,4H2,1-3H3,(H,24,26)/t16-/m0/s1