O-[3-[(6-phenylpyrimidin-4-yl)amino]phenyl] N-prop-2-enylcarbamothioate

Systemtic Name: O-[3-[(6-phenylpyrimidin-4-yl)amino]phenyl] N-prop-2-enylcarbamothioate Openeye Name: O-[3-[(6-phenylpyrimidin-4-yl)amino]phenyl] N-allylcarbamothioate CAS Name: N-prop-2-enylcarbamothioic acid O-[3-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: O-[3-[(6-phenylpyrimidin-4-yl)amino]phenyl] N-prop-2-enylcarbamothioate Traditional Name: N-allylthiocarbamic acid O-[3-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C20H18N4OS MolecularWeight: 362.44812

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)OC1=CC=CC(=C1)NC2=NC=NC(=C2)C3=CC=CC=C3

Isomeric SMILES

C=CCNC(=S)OC1=CC=CC(=C1)NC2=NC=NC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H18N4OS/c1-2-11-21-20(26)25-17-10-6-9-16(12-17)24-19-13-18(22-14-23-19)15-7-4-3-5-8-15/h2-10,12-14H,1,11H2,(H,21,26)(H,22,23,24)