(2,6-dimethoxypyrimidin-4-yl)-[4-(3-phenylpropanoylcarbamothioylamino)phenyl]sulfonyl-azanide

Systemtic Name: (2,6-dimethoxypyrimidin-4-yl)-[4-(3-phenylpropanoylcarbamothioylamino)phenyl]sulfonyl-azanide Openeye Name: (2,6-dimethoxypyrimidin-4-yl)-[4-(3-phenylpropanoylcarbamothioylamino)phenyl]sulfonyl-azanide CAS Name: (2,6-dimethoxy-4-pyrimidinyl)-[4-[[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]amino]phenyl]sulfonylazanide IUPAC Name: (2,6-dimethoxypyrimidin-4-yl)-[4-(3-phenylpropanoylcarbamothioylamino)phenyl]sulfonylazanide Traditional Name: (2,6-dimethoxypyrimidin-4-yl)-[4-(hydrocinnamoylthiocarbamoylamino)phenyl]sulfonyl-azanide Formula: C22H22N5O5S2- MolecularWeight: 500.57058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=NC(=NC(=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC3=CC=CC=C3)OC

InChI

InChI=1S/C22H23N5O5S2/c1-31-20-14-18(24-21(26-20)32-2)27-34(29,30)17-11-9-16(10-12-17)23-22(33)25-19(28)13-8-15-6-4-3-5-7-15/h3-7,9-12,14H,8,13H2,1-2H3,(H3,23,24,25,26,27,28,33)/p-1