(2S)-N-aminocarbonyl-2-[1-(2,6-dimethylphenyl)-5-phenyl-imidazol-2-yl]sulfanyl-propanamide

Systemtic Name: (2S)-N-aminocarbonyl-2-[1-(2,6-dimethylphenyl)-5-phenyl-imidazol-2-yl]sulfanyl-propanamide Openeye Name: (2S)-N-carbamoyl-2-[1-(2,6-dimethylphenyl)-5-phenyl-imidazol-2-yl]sulfanyl-propanamide CAS Name: (2S)-N-carbamoyl-2-[[1-(2,6-dimethylphenyl)-5-phenyl-2-imidazolyl]thio]propanamide IUPAC Name: (2S)-N-carbamoyl-2-[1-(2,6-dimethylphenyl)-5-phenylimidazol-2-yl]sulfanylpropanamide Traditional Name: (2S)-N-carbamoyl-2-[[1-(2,6-dimethylphenyl)-5-phenyl-imidazol-2-yl]thio]propionamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=CN=C2SC(C)C(=O)NC(=O)N)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=CN=C2S[C@@H](C)C(=O)NC(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O2S/c1-13-8-7-9-14(2)18(13)25-17(16-10-5-4-6-11-16)12-23-21(25)28-15(3)19(26)24-20(22)27/h4-12,15H,1-3H3,(H3,22,24,26,27)/t15-/m0/s1