diethyl 1-(4-methylphenyl)-3-phenyl-4-sulfanylidene-1,3-diazinane-5,5-dicarboxylate

Systemtic Name: diethyl 1-(4-methylphenyl)-3-phenyl-4-sulfanylidene-1,3-diazinane-5,5-dicarboxylate Openeye Name: diethyl 3-phenyl-1-(p-tolyl)-4-thioxo-hexahydropyrimidine-5,5-dicarboxylate CAS Name: 1-(4-methylphenyl)-3-phenyl-4-sulfanylidene-1,3-diazinane-5,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1-(4-methylphenyl)-3-phenyl-4-sulfanylidene-1,3-diazinane-5,5-dicarboxylate Traditional Name: 3-phenyl-1-(p-tolyl)-4-thioxo-hexahydropyrimidine-5,5-dicarboxylic acid diethyl ester Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CN(CN(C1=S)C2=CC=CC=C2)C3=CC=C(C=C3)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(CN(CN(C1=S)C2=CC=CC=C2)C3=CC=C(C=C3)C)C(=O)OCC

InChI

InChI=1S/C23H26N2O4S/c1-4-28-21(26)23(22(27)29-5-2)15-24(18-13-11-17(3)12-14-18)16-25(20(23)30)19-9-7-6-8-10-19/h6-14H,4-5,15-16H2,1-3H3