6-(1,3-benzodioxol-5-yl)-3-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-3-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Openeye Name: 6-(1,3-benzodioxol-5-yl)-3-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxamide CAS Name: 6-(1,3-benzodioxol-5-yl)-3-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide IUPAC Name: 6-(1,3-benzodioxol-5-yl)-3-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Traditional Name: 6-(1,3-benzodioxol-5-yl)-N-(2-methoxyphenyl)-4-methyl-3-p-phenetyl-2-thioxo-1,6-dihydropyrimidine-5-carboxamide Formula: C28H27N3O5S MolecularWeight: 517.59608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=C(C(NC2=S)C3=CC4=C(C=C3)OCO4)C(=O)NC5=CC=CC=C5OC)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=C(C(NC2=S)C3=CC4=C(C=C3)OCO4)C(=O)NC5=CC=CC=C5OC)C

InChI

InChI=1S/C28H27N3O5S/c1-4-34-20-12-10-19(11-13-20)31-17(2)25(27(32)29-21-7-5-6-8-22(21)33-3)26(30-28(31)37)18-9-14-23-24(15-18)36-16-35-23/h5-15,26H,4,16H2,1-3H3,(H,29,32)(H,30,37)