N-[1-[(4-fluorophenyl)methyl]-7-thiomorpholin-4-ylcarbonyl-benzimidazol-5-yl]-2-methoxy-ethanamide

Systemtic Name: N-[1-[(4-fluorophenyl)methyl]-7-thiomorpholin-4-ylcarbonyl-benzimidazol-5-yl]-2-methoxy-ethanamide Openeye Name: N-[1-[(4-fluorophenyl)methyl]-7-(thiomorpholine-4-carbonyl)benzimidazol-5-yl]-2-methoxy-acetamide CAS Name: N-[1-[(4-fluorophenyl)methyl]-7-[oxo(thiomorpholin-4-yl)methyl]-5-benzimidazolyl]-2-methoxyacetamide IUPAC Name: N-[1-[(4-fluorophenyl)methyl]-7-(thiomorpholine-4-carbonyl)benzimidazol-5-yl]-2-methoxyacetamide Traditional Name: N-[1-(4-fluorobenzyl)-7-(thiomorpholine-4-carbonyl)benzimidazol-5-yl]-2-methoxy-acetamide Formula: C22H23FN4O3S MolecularWeight: 442.506423

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)NC1=CC2=C(C(=C1)C(=O)N3CCSCC3)N(C=N2)CC4=CC=C(C=C4)F

Isomeric SMILES

COCC(=O)NC1=CC2=C(C(=C1)C(=O)N3CCSCC3)N(C=N2)CC4=CC=C(C=C4)F

InChI

InChI=1S/C22H23FN4O3S/c1-30-13-20(28)25-17-10-18(22(29)26-6-8-31-9-7-26)21-19(11-17)24-14-27(21)12-15-2-4-16(23)5-3-15/h2-5,10-11,14H,6-9,12-13H2,1H3,(H,25,28)