ethyl 4-(4-chlorophenyl)-6-(diethylcarbamothioylsulfanylmethyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-6-(diethylcarbamothioylsulfanylmethyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-6-(diethylcarbamothioylsulfanylmethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-chlorophenyl)-6-[[[diethylamino(sulfanylidene)methyl]thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-6-(diethylcarbamothioylsulfanylmethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-chlorophenyl)-6-[(diethylthiocarbamoylthio)methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H24ClN3O3S2 MolecularWeight: 441.99516

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC1=C(C(NC(=O)N1)C2=CC=C(C=C2)Cl)C(=O)OCC

Isomeric SMILES

CCN(CC)C(=S)SCC1=C(C(NC(=O)N1)C2=CC=C(C=C2)Cl)C(=O)OCC

InChI

InChI=1S/C19H24ClN3O3S2/c1-4-23(5-2)19(27)28-11-14-15(17(24)26-6-3)16(22-18(25)21-14)12-7-9-13(20)10-8-12/h7-10,16H,4-6,11H2,1-3H3,(H2,21,22,25)