[4-[[4-(2-methylbutylcarbamothioylamino)naphthalen-1-yl]sulfamoyl]phenyl] 5-octoxypyrimidine-2-carboxylate

Systemtic Name: [4-[[4-(2-methylbutylcarbamothioylamino)naphthalen-1-yl]sulfamoyl]phenyl] 5-octoxypyrimidine-2-carboxylate Openeye Name: [4-[[4-(2-methylbutylcarbamothioylamino)-1-naphthyl]sulfamoyl]phenyl] 5-octoxypyrimidine-2-carboxylate CAS Name: 5-octoxy-2-pyrimidinecarboxylic acid [4-[[4-[[(2-methylbutylamino)-sulfanylidenemethyl]amino]-1-naphthalenyl]sulfamoyl]phenyl] ester IUPAC Name: [4-[[4-(2-methylbutylcarbamothioylamino)naphthalen-1-yl]sulfamoyl]phenyl] 5-octoxypyrimidine-2-carboxylate Traditional Name: 5-octoxypyrimidine-2-carboxylic acid [4-[[4-(2-methylbutylthiocarbamoylamino)-1-naphthyl]sulfamoyl]phenyl] ester Formula: C35H43N5O5S2 MolecularWeight: 677.87642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(N=C1)C(=O)OC2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C4=CC=CC=C43)NC(=S)NCC(C)CC

Isomeric SMILES

CCCCCCCCOC1=CN=C(N=C1)C(=O)OC2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C4=CC=CC=C43)NC(=S)NCC(C)CC

InChI

InChI=1S/C35H43N5O5S2/c1-4-6-7-8-9-12-21-44-27-23-36-33(37-24-27)34(41)45-26-15-17-28(18-16-26)47(42,43)40-32-20-19-31(29-13-10-11-14-30(29)32)39-35(46)38-22-25(3)5-2/h10-11,13-20,23-25,40H,4-9,12,21-22H2,1-3H3,(H2,38,39,46)