(2S)-N-[(4-methylphenyl)methyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-[(4-methylphenyl)methyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-propanamide Openeye Name: (2S)-N-(p-tolylmethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-propanamide CAS Name: (2S)-N-[(4-methylphenyl)methyl]-2-[(4,5,6-trimethyl-2-pyrimidinyl)thio]propanamide IUPAC Name: (2S)-N-[(4-methylphenyl)methyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide Traditional Name: (2S)-N-(4-methylbenzyl)-2-[(4,5,6-trimethylpyrimidin-2-yl)thio]propionamide Formula: C18H23N3OS MolecularWeight: 329.45972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(C)SC2=NC(=C(C(=N2)C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)[C@H](C)SC2=NC(=C(C(=N2)C)C)C

InChI

InChI=1S/C18H23N3OS/c1-11-6-8-16(9-7-11)10-19-17(22)15(5)23-18-20-13(3)12(2)14(4)21-18/h6-9,15H,10H2,1-5H3,(H,19,22)/t15-/m0/s1