bis(phenylmethyl) 2-sulfanylidene-1,3-diazinane-1,3-dicarboxylate

Systemtic Name: bis(phenylmethyl) 2-sulfanylidene-1,3-diazinane-1,3-dicarboxylate Openeye Name: dibenzyl 2-thioxohexahydropyrimidine-1,3-dicarboxylate CAS Name: 2-sulfanylidene-1,3-diazinane-1,3-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-sulfanylidene-1,3-diazinane-1,3-dicarboxylate Traditional Name: 2-thioxohexahydropyrimidine-1,3-dicarboxylic acid dibenzyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=S)N(C1)C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(C(=S)N(C1)C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O4S/c23-19(25-14-16-8-3-1-4-9-16)21-12-7-13-22(18(21)27)20(24)26-15-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2