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

Systemtic Name: 2-[2-(benzotriazol-1-yl)ethanoyl-(thiophen-2-ylmethyl)amino]-N-(4-fluorophenyl)-2-phenyl-ethanamide Openeye Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(2-thienylmethyl)amino]-N-(4-fluorophenyl)-2-phenyl-acetamide CAS Name: 2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(thiophen-2-ylmethyl)amino]-N-(4-fluorophenyl)-2-phenylacetamide IUPAC Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-N-(4-fluorophenyl)-2-phenylacetamide Traditional Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(2-thenyl)amino]-N-(4-fluorophenyl)-2-phenyl-acetamide Formula: C27H22FN5O2S MolecularWeight: 499.559283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)F)N(CC3=CC=CS3)C(=O)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)F)N(CC3=CC=CS3)C(=O)CN4C5=CC=CC=C5N=N4

InChI

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