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

Systemtic Name: 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C20H19N5O4S2 MolecularWeight: 457.52596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCO2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

InChI

InChI=1S/C20H19N5O4S2/c1-13(14-3-8-17-18(11-14)29-12-28-17)23-20(30)24-15-4-6-16(7-5-15)31(26,27)25-19-21-9-2-10-22-19/h2-11,13H,12H2,1H3,(H,21,22,25)(H2,23,24,30)