(phenylmethyl) 4-methylidene-6-[4-(phenylcarbonyloxy)phenyl]-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: (phenylmethyl) 4-methylidene-6-[4-(phenylcarbonyloxy)phenyl]-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: benzyl 4-(4-benzoyloxyphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-(4-benzoyloxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(4-benzoyloxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: 4-(4-benzoyloxyphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid benzyl ester Formula: C26H22N2O4S MolecularWeight: 458.52888

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(NC(=S)N1)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C=C1C(C(NC(=S)N1)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H22N2O4S/c1-17-22(25(30)31-16-18-8-4-2-5-9-18)23(28-26(33)27-17)19-12-14-21(15-13-19)32-24(29)20-10-6-3-7-11-20/h2-15,22-23H,1,16H2,(H2,27,28,33)