1-(4-chloranyl-2,5-dimethoxy-phenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-(4-chloranyl-2,5-dimethoxy-phenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(4-chloro-2,5-dimethoxy-phenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-(4-chloro-2,5-dimethoxyphenyl)-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(4-chloro-2,5-dimethoxyphenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-(4-chloro-2,5-dimethoxy-phenyl)-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C19H18ClN5O4S2 MolecularWeight: 479.96032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)OC)Cl

InChI

InChI=1S/C19H18ClN5O4S2/c1-28-16-11-15(17(29-2)10-14(16)20)24-19(30)23-12-4-6-13(7-5-12)31(26,27)25-18-21-8-3-9-22-18/h3-11H,1-2H3,(H,21,22,25)(H2,23,24,30)