1-(1,3-benzodioxol-5-yl)-3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[4-[(2,6-dimethoxy-4-pyrimidinyl)sulfamoyl]phenyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]thiourea Formula: C20H19N5O6S2 MolecularWeight: 489.52476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C20H19N5O6S2/c1-28-18-10-17(23-19(24-18)29-2)25-33(26,27)14-6-3-12(4-7-14)21-20(32)22-13-5-8-15-16(9-13)31-11-30-15/h3-10H,11H2,1-2H3,(H2,21,22,32)(H,23,24,25)