2-[2-(benzotriazol-1-yl)ethanoyl-(3-fluorophenyl)amino]-N-(oxolan-2-ylmethyl)-2-thiophen-2-yl-ethanamide

Systemtic Name: 2-[2-(benzotriazol-1-yl)ethanoyl-(3-fluorophenyl)amino]-N-(oxolan-2-ylmethyl)-2-thiophen-2-yl-ethanamide Openeye Name: 2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoro-anilino)-N-(tetrahydrofuran-2-ylmethyl)-2-(2-thienyl)acetamide CAS Name: 2-(N-[2-(1-benzotriazolyl)-1-oxoethyl]-3-fluoroanilino)-N-(2-oxolanylmethyl)-2-thiophen-2-ylacetamide IUPAC Name: 2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoroanilino)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide Traditional Name: 2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoro-anilino)-N-(tetrahydrofurfuryl)-2-(2-thienyl)acetamide Formula: C25H24FN5O3S MolecularWeight: 493.553163

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C(C2=CC=CS2)N(C3=CC(=CC=C3)F)C(=O)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CC(OC1)CNC(=O)C(C2=CC=CS2)N(C3=CC(=CC=C3)F)C(=O)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C25H24FN5O3S/c26-17-6-3-7-18(14-17)31(23(32)16-30-21-10-2-1-9-20(21)28-29-30)24(22-11-5-13-35-22)25(33)27-15-19-8-4-12-34-19/h1-3,5-7,9-11,13-14,19,24H,4,8,12,15-16H2,(H,27,33)