2-[tert-butyl-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]amino]-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[tert-butyl-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]amino]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[tert-butyl-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]-N-(4-fluorophenyl)acetamide CAS Name: 2-[tert-butyl-[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]amino]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[tert-butyl-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[tert-butyl-[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]amino]-N-(4-fluorophenyl)acetamide Formula: C19H22FN3O3S MolecularWeight: 391.459683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC(=O)NC1=CC=C(C=C1)F)C(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC(C)(C)N(CC(=O)NC1=CC=C(C=C1)F)C(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C19H22FN3O3S/c1-19(2,3)22(12-16(24)21-15-9-7-14(20)8-10-15)17(25)13-27-18-6-4-5-11-23(18)26/h4-11H,12-13H2,1-3H3,(H,21,24)