1-(4,6-dimethoxypyrimidin-2-yl)-3-[[2-(phenylmethyl)-3H-1,2-benzothiazol-7-yl]sulfonyl]urea

Systemtic Name: 1-(4,6-dimethoxypyrimidin-2-yl)-3-[[2-(phenylmethyl)-3H-1,2-benzothiazol-7-yl]sulfonyl]urea Openeye Name: 1-[(2-benzyl-3H-1,2-benzothiazol-7-yl)sulfonyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea CAS Name: 1-(4,6-dimethoxy-2-pyrimidinyl)-3-[[2-(phenylmethyl)-3H-1,2-benzothiazol-7-yl]sulfonyl]urea IUPAC Name: 1-[(2-benzyl-3H-1,2-benzothiazol-7-yl)sulfonyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea Traditional Name: 1-[(2-benzyl-3H-1,2-benzothiazol-7-yl)sulfonyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea Formula: C21H21N5O5S2 MolecularWeight: 487.55194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC3=C2SN(C3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC3=C2SN(C3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C21H21N5O5S2/c1-30-17-11-18(31-2)23-20(22-17)24-21(27)25-33(28,29)16-10-6-9-15-13-26(32-19(15)16)12-14-7-4-3-5-8-14/h3-11H,12-13H2,1-2H3,(H2,22,23,24,25,27)