2-(3-phenylmethoxyphenoxy)-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]ethanamide

Systemtic Name: 2-(3-phenylmethoxyphenoxy)-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]ethanamide Openeye Name: 2-(3-benzyloxyphenoxy)-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]acetamide CAS Name: 2-(3-phenylmethoxyphenoxy)-N-[[2-(1-pyrrolidinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(3-phenylmethoxyphenoxy)-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]acetamide Traditional Name: 2-(3-benzoxyphenoxy)-N-[[2-pyrrolidino-5-(trifluoromethyl)phenyl]thiocarbamoyl]acetamide Formula: C27H26F3N3O3S MolecularWeight: 529.57385

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)COC3=CC=CC(=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)COC3=CC=CC(=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H26F3N3O3S/c28-27(29,30)20-11-12-24(33-13-4-5-14-33)23(15-20)31-26(37)32-25(34)18-36-22-10-6-9-21(16-22)35-17-19-7-2-1-3-8-19/h1-3,6-12,15-16H,4-5,13-14,17-18H2,(H2,31,32,34,37)