1-(4-methoxy-2-nitro-phenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-(4-methoxy-2-nitro-phenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(4-methoxy-2-nitro-phenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-(4-methoxy-2-nitrophenyl)-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(4-methoxy-2-nitrophenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-(4-methoxy-2-nitro-phenyl)-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C18H16N6O5S2 MolecularWeight: 460.48684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N6O5S2/c1-29-13-5-8-15(16(11-13)24(25)26)22-18(30)21-12-3-6-14(7-4-12)31(27,28)23-17-19-9-2-10-20-17/h2-11H,1H3,(H,19,20,23)(H2,21,22,30)