3-(4-methylpiperazin-1-yl)carbonyl-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carbothioamide

Systemtic Name: 3-(4-methylpiperazin-1-yl)carbonyl-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carbothioamide Openeye Name: N-isopropyl-3-(4-methylpiperazine-1-carbonyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carbothioamide CAS Name: 3-[(4-methyl-1-piperazinyl)-oxomethyl]-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]-1-pyrrolidinecarbothioamide IUPAC Name: 3-(4-methylpiperazine-1-carbonyl)-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carbothioamide Traditional Name: N-isopropyl-3-(4-methylpiperazine-1-carbonyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carbothioamide Formula: C21H29F3N4OS MolecularWeight: 442.54137

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)N1CC(C(C1)C(=O)N2CCN(CC2)C)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CC(C)NC(=S)N1CC(C(C1)C(=O)N2CCN(CC2)C)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H29F3N4OS/c1-14(2)25-20(30)28-12-17(15-5-4-6-16(11-15)21(22,23)24)18(13-28)19(29)27-9-7-26(3)8-10-27/h4-6,11,14,17-18H,7-10,12-13H2,1-3H3,(H,25,30)