(2R)-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-3-methyl-2-(2-phenylethanoylamino)butanamide

Systemtic Name: (2R)-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-3-methyl-2-(2-phenylethanoylamino)butanamide Openeye Name: (2R)-N-[4-(4-cyanophenyl)thiazol-2-yl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide CAS Name: (2R)-N-[4-(4-cyanophenyl)-2-thiazolyl]-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanamide IUPAC Name: (2R)-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide Traditional Name: (2R)-N-[4-(4-cyanophenyl)thiazol-2-yl]-3-methyl-2-[(2-phenylacetyl)amino]butyramide Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=NC(=CS1)C2=CC=C(C=C2)C#N)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@H](C(=O)NC1=NC(=CS1)C2=CC=C(C=C2)C#N)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C23H22N4O2S/c1-15(2)21(26-20(28)12-16-6-4-3-5-7-16)22(29)27-23-25-19(14-30-23)18-10-8-17(13-24)9-11-18/h3-11,14-15,21H,12H2,1-2H3,(H,26,28)(H,25,27,29)/t21-/m1/s1