3-(4-propan-2-ylphenyl)-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]prop-2-enamide

Systemtic Name: 3-(4-propan-2-ylphenyl)-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]prop-2-enamide Openeye Name: 3-(4-isopropylphenyl)-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]prop-2-enamide CAS Name: 3-(4-propan-2-ylphenyl)-N-[[2-(1-pyrrolidinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: 3-(4-propan-2-ylphenyl)-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]prop-2-enamide Traditional Name: 3-p-cumenyl-N-[[2-pyrrolidino-5-(trifluoromethyl)phenyl]thiocarbamoyl]acrylamide Formula: C24H26F3N3OS MolecularWeight: 461.54295

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3

InChI

InChI=1S/C24H26F3N3OS/c1-16(2)18-8-5-17(6-9-18)7-12-22(31)29-23(32)28-20-15-19(24(25,26)27)10-11-21(20)30-13-3-4-14-30/h5-12,15-16H,3-4,13-14H2,1-2H3,(H2,28,29,31,32)