O-[3-[(6-phenylpyrimidin-4-yl)amino]phenyl] N-phenylcarbamothioate

Systemtic Name: O-[3-[(6-phenylpyrimidin-4-yl)amino]phenyl] N-phenylcarbamothioate Openeye Name: O-[3-[(6-phenylpyrimidin-4-yl)amino]phenyl] N-phenylcarbamothioate CAS Name: N-phenylcarbamothioic acid O-[3-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: O-[3-[(6-phenylpyrimidin-4-yl)amino]phenyl] N-phenylcarbamothioate Traditional Name: N-phenylthiocarbamic acid O-[3-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C23H18N4OS MolecularWeight: 398.48022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC(=CC=C3)OC(=S)NC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC(=CC=C3)OC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C23H18N4OS/c29-23(27-18-10-5-2-6-11-18)28-20-13-7-12-19(14-20)26-22-15-21(24-16-25-22)17-8-3-1-4-9-17/h1-16H,(H,27,29)(H,24,25,26)