N-[1-(3-fluoranyl-4-methoxy-phenyl)ethyl]-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzamide

Systemtic Name: N-[1-(3-fluoranyl-4-methoxy-phenyl)ethyl]-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzamide Openeye Name: N-[1-(3-fluoro-4-methoxy-phenyl)ethyl]-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide CAS Name: N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide Traditional Name: N-[1-(3-fluoro-4-methoxy-phenyl)ethyl]-4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzamide Formula: C22H23FN4O3S MolecularWeight: 442.506423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OC)F)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=CN3C

Isomeric SMILES

CC(C1=CC(=C(C=C1)OC)F)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=CN3C

InChI

InChI=1S/C22H23FN4O3S/c1-14(16-6-9-19(30-3)18(23)12-16)25-21(29)15-4-7-17(8-5-15)26-20(28)13-31-22-24-10-11-27(22)2/h4-12,14H,13H2,1-3H3,(H,25,29)(H,26,28)