diethyl 1-cyclohexyl-3-phenyl-4-sulfanylidene-1,3-diazinane-5,5-dicarboxylate

Systemtic Name: diethyl 1-cyclohexyl-3-phenyl-4-sulfanylidene-1,3-diazinane-5,5-dicarboxylate Openeye Name: diethyl 1-cyclohexyl-3-phenyl-4-thioxo-hexahydropyrimidine-5,5-dicarboxylate CAS Name: 1-cyclohexyl-3-phenyl-4-sulfanylidene-1,3-diazinane-5,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1-cyclohexyl-3-phenyl-4-sulfanylidene-1,3-diazinane-5,5-dicarboxylate Traditional Name: 1-cyclohexyl-3-phenyl-4-thioxo-hexahydropyrimidine-5,5-dicarboxylic acid diethyl ester Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CN(CN(C1=S)C2=CC=CC=C2)C3CCCCC3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(CN(CN(C1=S)C2=CC=CC=C2)C3CCCCC3)C(=O)OCC

InChI

InChI=1S/C22H30N2O4S/c1-3-27-20(25)22(21(26)28-4-2)15-23(17-11-7-5-8-12-17)16-24(19(22)29)18-13-9-6-10-14-18/h6,9-10,13-14,17H,3-5,7-8,11-12,15-16H2,1-2H3