N-(3,3-dimethyl-1-phenyl-butyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide

Systemtic Name: N-(3,3-dimethyl-1-phenyl-butyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide Openeye Name: N-(3,3-dimethyl-1-phenyl-butyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide CAS Name: N-(3,3-dimethyl-1-phenylbutyl)-5-[[(1-methyl-2-imidazolyl)thio]methyl]-2-furancarboxamide IUPAC Name: N-(3,3-dimethyl-1-phenylbutyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide Traditional Name: N-(3,3-dimethyl-1-phenyl-butyl)-5-[[(1-methylimidazol-2-yl)thio]methyl]-2-furamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C1=CC=CC=C1)NC(=O)C2=CC=C(O2)CSC3=NC=CN3C

Isomeric SMILES

CC(C)(C)CC(C1=CC=CC=C1)NC(=O)C2=CC=C(O2)CSC3=NC=CN3C

InChI

InChI=1S/C22H27N3O2S/c1-22(2,3)14-18(16-8-6-5-7-9-16)24-20(26)19-11-10-17(27-19)15-28-21-23-12-13-25(21)4/h5-13,18H,14-15H2,1-4H3,(H,24,26)