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

Systemtic Name: 4-(3-ethoxy-4-methoxy-phenyl)-6-methyl-2-sulfanylidene-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: 4-(3-ethoxy-4-methoxy-phenyl)-6-methyl-2-thioxo-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 4-(3-ethoxy-4-methoxyphenyl)-6-methyl-2-sulfanylidene-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: 4-(3-ethoxy-4-methoxyphenyl)-6-methyl-2-sulfanylidene-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: 4-(3-ethoxy-4-methoxy-phenyl)-6-methyl-2-thioxo-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C22H22F3N3O3S MolecularWeight: 465.48859

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)NC3=CC=CC=C3C(F)(F)F)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)NC3=CC=CC=C3C(F)(F)F)OC

InChI

InChI=1S/C22H22F3N3O3S/c1-4-31-17-11-13(9-10-16(17)30-3)19-18(12(2)26-21(32)28-19)20(29)27-15-8-6-5-7-14(15)22(23,24)25/h5-11,19H,4H2,1-3H3,(H,27,29)(H2,26,28,32)