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

Systemtic Name: diethyl 3-phenyl-1-(phenylmethyl)-4-sulfanylidene-1,3-diazinane-5,5-dicarboxylate Openeye Name: diethyl 1-benzyl-3-phenyl-4-thioxo-hexahydropyrimidine-5,5-dicarboxylate CAS Name: 3-phenyl-1-(phenylmethyl)-4-sulfanylidene-1,3-diazinane-5,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1-benzyl-3-phenyl-4-sulfanylidene-1,3-diazinane-5,5-dicarboxylate Traditional Name: 1-benzyl-3-phenyl-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)CC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(CN(CN(C1=S)C2=CC=CC=C2)CC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C23H26N2O4S/c1-3-28-21(26)23(22(27)29-4-2)16-24(15-18-11-7-5-8-12-18)17-25(20(23)30)19-13-9-6-10-14-19/h5-14H,3-4,15-17H2,1-2H3