3-[2-(5-chloranyl-1-propyl-benzimidazol-2-yl)sulfanylethanoyl-(4-fluorophenyl)amino]propanamide

Systemtic Name: 3-[2-(5-chloranyl-1-propyl-benzimidazol-2-yl)sulfanylethanoyl-(4-fluorophenyl)amino]propanamide Openeye Name: 3-(N-[2-(5-chloro-1-propyl-benzimidazol-2-yl)sulfanylacetyl]-4-fluoro-anilino)propanamide CAS Name: 3-(N-[2-[(5-chloro-1-propyl-2-benzimidazolyl)thio]-1-oxoethyl]-4-fluoroanilino)propanamide IUPAC Name: 3-(N-[2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanylacetyl]-4-fluoroanilino)propanamide Traditional Name: 3-(N-[2-[(5-chloro-1-propyl-benzimidazol-2-yl)thio]acetyl]-4-fluoro-anilino)propionamide Formula: C21H22ClFN4O2S MolecularWeight: 448.941383

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N(CCC(=O)N)C3=CC=C(C=C3)F

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N(CCC(=O)N)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H22ClFN4O2S/c1-2-10-27-18-8-3-14(22)12-17(18)25-21(27)30-13-20(29)26(11-9-19(24)28)16-6-4-15(23)5-7-16/h3-8,12H,2,9-11,13H2,1H3,(H2,24,28)