(2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(1-methylimidazol-2-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(1-methylimidazol-2-yl)sulfanyl-propanamide Openeye Name: (2S)-2-(1-methylimidazol-2-yl)sulfanyl-N-[2-[(1S)-1-methylpropyl]phenyl]propanamide CAS Name: (2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-[(1-methyl-2-imidazolyl)thio]propanamide IUPAC Name: (2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(1-methylimidazol-2-yl)sulfanylpropanamide Traditional Name: (2S)-2-[(1-methylimidazol-2-yl)thio]-N-[2-[(1S)-1-methylpropyl]phenyl]propionamide Formula: C17H23N3OS MolecularWeight: 317.44902

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C(C)SC2=NC=CN2C

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=O)[C@H](C)SC2=NC=CN2C

InChI

InChI=1S/C17H23N3OS/c1-5-12(2)14-8-6-7-9-15(14)19-16(21)13(3)22-17-18-10-11-20(17)4/h6-13H,5H2,1-4H3,(H,19,21)/t12-,13-/m0/s1