3-[(4-fluorophenyl)-[2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanylethanoyl]amino]propanamide

Systemtic Name: 3-[(4-fluorophenyl)-[2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanylethanoyl]amino]propanamide Openeye Name: 3-(4-fluoro-N-[2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanylacetyl]anilino)propanamide CAS Name: 3-(4-fluoro-N-[2-[(1-methyl-5-phenyl-2-imidazolyl)thio]-1-oxoethyl]anilino)propanamide IUPAC Name: 3-(4-fluoro-N-[2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetyl]anilino)propanamide Traditional Name: 3-(4-fluoro-N-[2-[(1-methyl-5-phenyl-imidazol-2-yl)thio]acetyl]anilino)propionamide Formula: C21H21FN4O2S MolecularWeight: 412.480443

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1SCC(=O)N(CCC(=O)N)C2=CC=C(C=C2)F)C3=CC=CC=C3

Isomeric SMILES

CN1C(=CN=C1SCC(=O)N(CCC(=O)N)C2=CC=C(C=C2)F)C3=CC=CC=C3

InChI

InChI=1S/C21H21FN4O2S/c1-25-18(15-5-3-2-4-6-15)13-24-21(25)29-14-20(28)26(12-11-19(23)27)17-9-7-16(22)8-10-17/h2-10,13H,11-12,14H2,1H3,(H2,23,27)