N-(3-methoxypropyl)-1-(propan-2-ylcarbamothioyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

Systemtic Name: N-(3-methoxypropyl)-1-(propan-2-ylcarbamothioyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide Openeye Name: 1-(isopropylcarbamothioyl)-N-(3-methoxypropyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide CAS Name: N-(3-methoxypropyl)-1-[(propan-2-ylamino)-sulfanylidenemethyl]-4-[3-(trifluoromethyl)phenyl]-3-pyrrolidinecarboxamide IUPAC Name: N-(3-methoxypropyl)-1-(propan-2-ylcarbamothioyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide Traditional Name: 1-(isopropylthiocarbamoyl)-N-(3-methoxypropyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide Formula: C20H28F3N3O2S MolecularWeight: 431.51543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)N1CC(C(C1)C(=O)NCCCOC)C2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CC(C)NC(=S)N1CC(C(C1)C(=O)NCCCOC)C2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C20H28F3N3O2S/c1-13(2)25-19(29)26-11-16(14-6-4-7-15(10-14)20(21,22)23)17(12-26)18(27)24-8-5-9-28-3/h4,6-7,10,13,16-17H,5,8-9,11-12H2,1-3H3,(H,24,27)(H,25,29)