1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-piperonyl-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C19H17N5O4S2 MolecularWeight: 443.49938

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

InChI

InChI=1S/C19H17N5O4S2/c25-30(26,24-18-20-8-1-9-21-18)15-5-3-14(4-6-15)23-19(29)22-11-13-2-7-16-17(10-13)28-12-27-16/h1-10H,11-12H2,(H,20,21,24)(H2,22,23,29)