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

Systemtic Name: 1-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-phenethyl-thiourea Openeye Name: 1-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-phenethyl-thiourea CAS Name: 1-[4-[(2,6-dimethoxy-4-pyrimidinyl)sulfamoyl]phenyl]-3-phenethylthiourea IUPAC Name: 1-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-phenethylthiourea Traditional Name: 1-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-phenethyl-thiourea Formula: C21H23N5O4S2 MolecularWeight: 473.56842

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)NCCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NCCC3=CC=CC=C3)OC

InChI

InChI=1S/C21H23N5O4S2/c1-29-19-14-18(24-20(25-19)30-2)26-32(27,28)17-10-8-16(9-11-17)23-21(31)22-13-12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H2,22,23,31)(H,24,25,26)