2-[2-(benzotriazol-1-yl)ethanoyl-(4-fluorophenyl)amino]-N-(phenylmethyl)-2-thiophen-2-yl-ethanamide

Systemtic Name: 2-[2-(benzotriazol-1-yl)ethanoyl-(4-fluorophenyl)amino]-N-(phenylmethyl)-2-thiophen-2-yl-ethanamide Openeye Name: 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-fluoro-anilino)-N-benzyl-2-(2-thienyl)acetamide CAS Name: 2-(N-[2-(1-benzotriazolyl)-1-oxoethyl]-4-fluoroanilino)-N-(phenylmethyl)-2-thiophen-2-ylacetamide IUPAC Name: 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-fluoroanilino)-N-benzyl-2-thiophen-2-ylacetamide Traditional Name: 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-fluoro-anilino)-N-benzyl-2-(2-thienyl)acetamide Formula: C27H22FN5O2S MolecularWeight: 499.559283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(C2=CC=CS2)N(C3=CC=C(C=C3)F)C(=O)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C(C2=CC=CS2)N(C3=CC=C(C=C3)F)C(=O)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C27H22FN5O2S/c28-20-12-14-21(15-13-20)33(25(34)18-32-23-10-5-4-9-22(23)30-31-32)26(24-11-6-16-36-24)27(35)29-17-19-7-2-1-3-8-19/h1-16,26H,17-18H2,(H,29,35)