[4-(2-methylbutylcarbamothioylamino)phenyl] 5-octoxypyrimidine-2-carboxylate

Systemtic Name: [4-(2-methylbutylcarbamothioylamino)phenyl] 5-octoxypyrimidine-2-carboxylate Openeye Name: [4-(2-methylbutylcarbamothioylamino)phenyl] 5-octoxypyrimidine-2-carboxylate CAS Name: 5-octoxy-2-pyrimidinecarboxylic acid [4-[[(2-methylbutylamino)-sulfanylidenemethyl]amino]phenyl] ester IUPAC Name: [4-(2-methylbutylcarbamothioylamino)phenyl] 5-octoxypyrimidine-2-carboxylate Traditional Name: 5-octoxypyrimidine-2-carboxylic acid [4-(2-methylbutylthiocarbamoylamino)phenyl] ester Formula: C25H36N4O3S MolecularWeight: 472.64334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(N=C1)C(=O)OC2=CC=C(C=C2)NC(=S)NCC(C)CC

Isomeric SMILES

CCCCCCCCOC1=CN=C(N=C1)C(=O)OC2=CC=C(C=C2)NC(=S)NCC(C)CC

InChI

InChI=1S/C25H36N4O3S/c1-4-6-7-8-9-10-15-31-22-17-26-23(27-18-22)24(30)32-21-13-11-20(12-14-21)29-25(33)28-16-19(3)5-2/h11-14,17-19H,4-10,15-16H2,1-3H3,(H2,28,29,33)