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

Systemtic Name: O-[3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] N-phenylcarbamothioate Openeye Name: O-[3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] N-phenylcarbamothioate CAS Name: N-phenylcarbamothioic acid O-[3-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: O-[3-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] N-phenylcarbamothioate Traditional Name: N-phenylthiocarbamic acid O-[3-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C19H18N4OS2 MolecularWeight: 382.50242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC)NC2=CC(=CC=C2)OC(=S)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NC(=N1)SC)NC2=CC(=CC=C2)OC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C19H18N4OS2/c1-13-11-17(23-18(20-13)26-2)21-15-9-6-10-16(12-15)24-19(25)22-14-7-4-3-5-8-14/h3-12H,1-2H3,(H,22,25)(H,20,21,23)