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

Systemtic Name: 4-(4-acetamidophenyl)-6-methyl-2-sulfanylidene-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: 4-(4-acetamidophenyl)-6-methyl-2-thioxo-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 4-(4-acetamidophenyl)-6-methyl-2-sulfanylidene-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: 4-(4-acetamidophenyl)-6-methyl-2-sulfanylidene-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: 4-(4-acetamidophenyl)-6-methyl-2-thioxo-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C21H19F3N4O2S MolecularWeight: 448.46137

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19F3N4O2S/c1-11-17(19(30)27-16-6-4-3-5-15(16)21(22,23)24)18(28-20(31)25-11)13-7-9-14(10-8-13)26-12(2)29/h3-10,18H,1-2H3,(H,26,29)(H,27,30)(H2,25,28,31)