N-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl]-2-phenyl-ethanamide

Systemtic Name: N-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl]-2-phenyl-ethanamide Openeye Name: N-[1-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-2-phenyl-acetamide CAS Name: N-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-phenylacetamide IUPAC Name: N-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-phenylacetamide Traditional Name: N-[1-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-2-phenyl-acetamide Formula: C20H17F6N3OS MolecularWeight: 461.423899

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(C(F)(F)F)(C(F)(F)F)NC(=O)CC3=CC=CC=C3)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(C(F)(F)F)(C(F)(F)F)NC(=O)CC3=CC=CC=C3)C#N

InChI

InChI=1S/C20H17F6N3OS/c21-19(22,23)18(20(24,25)26,28-16(30)10-12-6-2-1-3-7-12)29-17-14(11-27)13-8-4-5-9-15(13)31-17/h1-3,6-7,29H,4-5,8-10H2,(H,28,30)