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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C18H15N5O4S2 MolecularWeight: 429.4728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N5O4S2/c24-29(25,23-17-19-8-1-9-20-17)14-5-2-12(3-6-14)21-18(28)22-13-4-7-15-16(10-13)27-11-26-15/h1-10H,11H2,(H,19,20,23)(H2,21,22,28)