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

Systemtic Name: 4-(4-ethoxy-3-methoxy-phenyl)-6-methyl-N-(phenylmethyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: N-benzyl-4-(4-ethoxy-3-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 4-(4-ethoxy-3-methoxyphenyl)-6-methyl-N-(phenylmethyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: N-benzyl-4-(4-ethoxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: N-benzyl-4-(4-ethoxy-3-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)NCC3=CC=CC=C3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)NCC3=CC=CC=C3)OC

InChI

InChI=1S/C22H25N3O3S/c1-4-28-17-11-10-16(12-18(17)27-3)20-19(14(2)24-22(29)25-20)21(26)23-13-15-8-6-5-7-9-15/h5-12,20H,4,13H2,1-3H3,(H,23,26)(H2,24,25,29)