O-[4-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] N-prop-2-enylcarbamothioate

Systemtic Name: O-[4-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] N-prop-2-enylcarbamothioate Openeye Name: O-[4-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] N-allylcarbamothioate CAS Name: N-prop-2-enylcarbamothioic acid O-[4-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: O-[4-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] N-prop-2-enylcarbamothioate Traditional Name: N-allylthiocarbamic acid O-[4-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C21H20N4OS2 MolecularWeight: 408.5397

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)NC2=CC=C(C=C2)OC(=S)NCC=C)C3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=CC(=N1)NC2=CC=C(C=C2)OC(=S)NCC=C)C3=CC=CC=C3

InChI

InChI=1S/C21H20N4OS2/c1-3-13-22-21(27)26-17-11-9-16(10-12-17)23-19-14-18(24-20(25-19)28-2)15-7-5-4-6-8-15/h3-12,14H,1,13H2,2H3,(H,22,27)(H,23,24,25)