ethyl 2-methylsulfanyl-4-[[4-(phenylcarbamothioyloxy)phenyl]amino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-4-[[4-(phenylcarbamothioyloxy)phenyl]amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-4-[4-(phenylcarbamothioyloxy)anilino]pyrimidine-5-carboxylate CAS Name: 4-[4-[anilino(sulfanylidene)methoxy]anilino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-4-[4-(phenylcarbamothioyloxy)anilino]pyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-[4-(phenylthiocarbamoyloxy)anilino]pyrimidine-5-carboxylic acid ethyl ester Formula: C21H20N4O3S2 MolecularWeight: 440.5385

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)OC(=S)NC3=CC=CC=C3)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)OC(=S)NC3=CC=CC=C3)SC

InChI

InChI=1S/C21H20N4O3S2/c1-3-27-19(26)17-13-22-20(30-2)25-18(17)23-15-9-11-16(12-10-15)28-21(29)24-14-7-5-4-6-8-14/h4-13H,3H2,1-2H3,(H,24,29)(H,22,23,25)