(2S)-N-(3-methylphenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-(3-methylphenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide Openeye Name: (2S)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-(m-tolyl)propanamide CAS Name: (2S)-N-(3-methylphenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanamide IUPAC Name: (2S)-N-(3-methylphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide Traditional Name: (2S)-2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]-N-(m-tolyl)propionamide Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)SC2=NC(=CC(=N2)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)SC2=NC(=CC(=N2)C)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3OS/c1-14-8-7-11-18(12-14)23-20(25)16(3)26-21-22-15(2)13-19(24-21)17-9-5-4-6-10-17/h4-13,16H,1-3H3,(H,23,25)/t16-/m0/s1