2-methylpropyl 3-ethyl-4-methyl-2-sulfanylidene-6-[4-[[3-(trifluoromethyl)phenyl]carbonylamino]phenyl]-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methylpropyl 3-ethyl-4-methyl-2-sulfanylidene-6-[4-[[3-(trifluoromethyl)phenyl]carbonylamino]phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 3-ethyl-4-methyl-2-thioxo-6-[4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-methyl-6-[4-[[oxo-[3-(trifluoromethyl)phenyl]methyl]amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-ethyl-4-methyl-2-sulfanylidene-6-[4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-4-methyl-2-thioxo-6-[4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C26H28F3N3O3S MolecularWeight: 519.57903

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)C(F)(F)F)C(=O)OCC(C)C)C

Isomeric SMILES

CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)C(F)(F)F)C(=O)OCC(C)C)C

InChI

InChI=1S/C26H28F3N3O3S/c1-5-32-16(4)21(24(34)35-14-15(2)3)22(31-25(32)36)17-9-11-20(12-10-17)30-23(33)18-7-6-8-19(13-18)26(27,28)29/h6-13,15,22H,5,14H2,1-4H3,(H,30,33)(H,31,36)