N-[(2S)-1-imidazol-1-yl-3,3-dimethyl-butan-2-yl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide

Systemtic Name: N-[(2S)-1-imidazol-1-yl-3,3-dimethyl-butan-2-yl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide Openeye Name: N-[(1S)-1-(imidazol-1-ylmethyl)-2,2-dimethyl-propyl]-5-[(2-methylsulfanylphenoxy)methyl]isoxazole-3-carboxamide CAS Name: N-[(2S)-1-(1-imidazolyl)-3,3-dimethylbutan-2-yl]-5-[[2-(methylthio)phenoxy]methyl]-3-isoxazolecarboxamide IUPAC Name: N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide Traditional Name: N-[(1S)-1-(imidazol-1-ylmethyl)-2,2-dimethyl-propyl]-5-[[2-(methylthio)phenoxy]methyl]isoxazole-3-carboxamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CN1C=CN=C1)NC(=O)C2=NOC(=C2)COC3=CC=CC=C3SC

Isomeric SMILES

CC(C)(C)[C@@H](CN1C=CN=C1)NC(=O)C2=NOC(=C2)COC3=CC=CC=C3SC

InChI

InChI=1S/C21H26N4O3S/c1-21(2,3)19(12-25-10-9-22-14-25)23-20(26)16-11-15(28-24-16)13-27-17-7-5-6-8-18(17)29-4/h5-11,14,19H,12-13H2,1-4H3,(H,23,26)/t19-/m1/s1