1-[(3,4-dimethoxyphenyl)methyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-[4-(2-pyrimidylsulfamoyl)phenyl]-3-veratryl-thiourea Formula: C20H21N5O4S2 MolecularWeight: 459.54184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)OC

InChI

InChI=1S/C20H21N5O4S2/c1-28-17-9-4-14(12-18(17)29-2)13-23-20(30)24-15-5-7-16(8-6-15)31(26,27)25-19-21-10-3-11-22-19/h3-12H,13H2,1-2H3,(H,21,22,25)(H2,23,24,30)