3-[2-(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylethanoyl-(4-fluorophenyl)amino]propanamide

Systemtic Name: 3-[2-(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylethanoyl-(4-fluorophenyl)amino]propanamide Openeye Name: 3-(N-[2-(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylacetyl]-4-fluoro-anilino)propanamide CAS Name: 3-(N-[2-[(1-cyclopentyl-4,5-dimethyl-2-imidazolyl)thio]-1-oxoethyl]-4-fluoroanilino)propanamide IUPAC Name: 3-(N-[2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-4-fluoroanilino)propanamide Traditional Name: 3-(N-[2-[(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)thio]acetyl]-4-fluoro-anilino)propionamide Formula: C21H27FN4O2S MolecularWeight: 418.528083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCC(=O)N(CCC(=O)N)C2=CC=C(C=C2)F)C3CCCC3)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC(=O)N(CCC(=O)N)C2=CC=C(C=C2)F)C3CCCC3)C

InChI

InChI=1S/C21H27FN4O2S/c1-14-15(2)26(18-5-3-4-6-18)21(24-14)29-13-20(28)25(12-11-19(23)27)17-9-7-16(22)8-10-17/h7-10,18H,3-6,11-13H2,1-2H3,(H2,23,27)