4-(4-tert-butylphenyl)-6-methyl-2-sulfanylidene-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: 4-(4-tert-butylphenyl)-6-methyl-2-sulfanylidene-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: 4-(4-tert-butylphenyl)-6-methyl-2-thioxo-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 4-(4-tert-butylphenyl)-6-methyl-2-sulfanylidene-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: 4-(4-tert-butylphenyl)-6-methyl-2-sulfanylidene-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: 4-(4-tert-butylphenyl)-6-methyl-2-thioxo-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C23H24F3N3OS MolecularWeight: 447.51637

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)C(C)(C)C)C(=O)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)C(C)(C)C)C(=O)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C23H24F3N3OS/c1-13-18(20(30)28-17-8-6-5-7-16(17)23(24,25)26)19(29-21(31)27-13)14-9-11-15(12-10-14)22(2,3)4/h5-12,19H,1-4H3,(H,28,30)(H2,27,29,31)