N-[(E)-(4-fluorophenyl)methylideneamino]-4-(3-methoxy-4-oxidanyl-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: N-[(E)-(4-fluorophenyl)methylideneamino]-4-(3-methoxy-4-oxidanyl-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: N-[(E)-(4-fluorophenyl)methyleneamino]-4-(4-hydroxy-3-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: N-[(E)-(4-fluorophenyl)methylideneamino]-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: N-[(E)-(4-fluorophenyl)methylideneamino]-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: N-[(E)-(4-fluorobenzylidene)amino]-4-(4-hydroxy-3-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C20H19FN4O3S MolecularWeight: 414.453263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)O)OC)C(=O)NN=CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)O)OC)C(=O)N/N=C/C3=CC=C(C=C3)F

InChI

InChI=1S/C20H19FN4O3S/c1-11-17(19(27)25-22-10-12-3-6-14(21)7-4-12)18(24-20(29)23-11)13-5-8-15(26)16(9-13)28-2/h3-10,18,26H,1-2H3,(H,25,27)(H2,23,24,29)/b22-10+