N-[(4-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-3-(2-thiophen-2-ylethanoylamino)-1-benzofuran-2-carboxamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-3-(2-thiophen-2-ylethanoylamino)-1-benzofuran-2-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-N-(3-pyridylmethyl)-3-[[2-(2-thienyl)acetyl]amino]benzofuran-2-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-3-[(1-oxo-2-thiophen-2-ylethyl)amino]-N-(3-pyridinylmethyl)-2-benzofurancarboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[(2-thiophen-2-ylacetyl)amino]-1-benzofuran-2-carboxamide Traditional Name: N-(4-fluorobenzyl)-N-(3-pyridylmethyl)-3-[[2-(2-thienyl)acetyl]amino]coumarilamide Formula: C28H22FN3O3S MolecularWeight: 499.555983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(O2)C(=O)N(CC3=CC=C(C=C3)F)CC4=CN=CC=C4)NC(=O)CC5=CC=CS5

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(O2)C(=O)N(CC3=CC=C(C=C3)F)CC4=CN=CC=C4)NC(=O)CC5=CC=CS5

InChI

InChI=1S/C28H22FN3O3S/c29-21-11-9-19(10-12-21)17-32(18-20-5-3-13-30-16-20)28(34)27-26(23-7-1-2-8-24(23)35-27)31-25(33)15-22-6-4-14-36-22/h1-14,16H,15,17-18H2,(H,31,33)