O-[3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] N-phenylcarbamothioate

Systemtic Name: O-[3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] N-phenylcarbamothioate Openeye Name: O-[3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] N-phenylcarbamothioate CAS Name: N-phenylcarbamothioic acid O-[3-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: O-[3-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] N-phenylcarbamothioate Traditional Name: N-phenylthiocarbamic acid O-[3-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C24H20N4OS2 MolecularWeight: 444.5718

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)NC2=CC(=CC=C2)OC(=S)NC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CSC1=NC(=CC(=N1)NC2=CC(=CC=C2)OC(=S)NC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H20N4OS2/c1-31-23-27-21(17-9-4-2-5-10-17)16-22(28-23)25-19-13-8-14-20(15-19)29-24(30)26-18-11-6-3-7-12-18/h2-16H,1H3,(H,26,30)(H,25,27,28)