(2S)-N-(2,6-dimethylphenyl)-2-[1-(phenylmethyl)imidazol-2-yl]sulfanyl-propanamide

Systemtic Name: (2S)-N-(2,6-dimethylphenyl)-2-[1-(phenylmethyl)imidazol-2-yl]sulfanyl-propanamide Openeye Name: (2S)-2-(1-benzylimidazol-2-yl)sulfanyl-N-(2,6-dimethylphenyl)propanamide CAS Name: (2S)-N-(2,6-dimethylphenyl)-2-[[1-(phenylmethyl)-2-imidazolyl]thio]propanamide IUPAC Name: (2S)-2-(1-benzylimidazol-2-yl)sulfanyl-N-(2,6-dimethylphenyl)propanamide Traditional Name: (2S)-2-[(1-benzylimidazol-2-yl)thio]-N-(2,6-dimethylphenyl)propionamide Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(C)SC2=NC=CN2CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)[C@H](C)SC2=NC=CN2CC3=CC=CC=C3

InChI

InChI=1S/C21H23N3OS/c1-15-8-7-9-16(2)19(15)23-20(25)17(3)26-21-22-12-13-24(21)14-18-10-5-4-6-11-18/h4-13,17H,14H2,1-3H3,(H,23,25)/t17-/m0/s1