N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]hexanamide

Systemtic Name: N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]hexanamide Openeye Name: N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]hexanamide CAS Name: N-[[2-(1-pyrrolidinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]hexanamide Traditional Name: N-[[2-pyrrolidino-5-(trifluoromethyl)phenyl]thiocarbamoyl]hexanamide Formula: C18H24F3N3OS MolecularWeight: 387.46287

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=C(C=CC(=C1)C(F)(F)F)N2CCCC2

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=C(C=CC(=C1)C(F)(F)F)N2CCCC2

InChI

InChI=1S/C18H24F3N3OS/c1-2-3-4-7-16(25)23-17(26)22-14-12-13(18(19,20)21)8-9-15(14)24-10-5-6-11-24/h8-9,12H,2-7,10-11H2,1H3,(H2,22,23,25,26)