(2S)-N-(4-cyano-3-iodanyl-phenyl)-3-(4-isothiocyanatophenoxy)-2-methyl-2-oxidanyl-propanamide

Systemtic Name: (2S)-N-(4-cyano-3-iodanyl-phenyl)-3-(4-isothiocyanatophenoxy)-2-methyl-2-oxidanyl-propanamide Openeye Name: (2S)-N-(4-cyano-3-iodanyl-phenyl)-2-hydroxy-3-(4-isothiocyanatophenoxy)-2-methyl-propanamide CAS Name: (2S)-N-(4-cyano-3-iodanylphenyl)-2-hydroxy-3-(4-isothiocyanatophenoxy)-2-methylpropanamide IUPAC Name: (2S)-N-(4-cyano-3-iodanylphenyl)-2-hydroxy-3-(4-isothiocyanatophenoxy)-2-methylpropanamide Traditional Name: (2S)-N-(4-cyano-3-iodanyl-phenyl)-2-hydroxy-3-(4-isothiocyanatophenoxy)-2-methyl-propionamide Formula: C18H14IN3O3S MolecularWeight: 477.291684

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC=C(C=C1)N=C=S)(C(=O)NC2=CC(=C(C=C2)C#N)I)O

Isomeric SMILES

C[C@](COC1=CC=C(C=C1)N=C=S)(C(=O)NC2=CC(=C(C=C2)C#N)[125I])O

InChI

InChI=1S/C18H14IN3O3S/c1-18(24,10-25-15-6-4-13(5-7-15)21-11-26)17(23)22-14-3-2-12(9-20)16(19)8-14/h2-8,24H,10H2,1H3,(H,22,23)/t18-/m0/s1/i19-2