1-(pyridin-4-ylmethyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-(pyridin-4-ylmethyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(4-pyridylmethyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-(pyridin-4-ylmethyl)-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(pyridin-4-ylmethyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-(4-pyridylmethyl)-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C17H16N6O2S2 MolecularWeight: 400.47794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=NC=C3

Isomeric SMILES

C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=NC=C3

InChI

InChI=1S/C17H16N6O2S2/c24-27(25,23-16-19-8-1-9-20-16)15-4-2-14(3-5-15)22-17(26)21-12-13-6-10-18-11-7-13/h1-11H,12H2,(H,19,20,23)(H2,21,22,26)