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

Systemtic Name: 1-(1-pyridin-4-ylethyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-[1-(4-pyridyl)ethyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-(1-pyridin-4-ylethyl)-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(1-pyridin-4-ylethyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-[1-(4-pyridyl)ethyl]-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C18H18N6O2S2 MolecularWeight: 414.50452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=NC=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

Isomeric SMILES

CC(C1=CC=NC=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

InChI

InChI=1S/C18H18N6O2S2/c1-13(14-7-11-19-12-8-14)22-18(27)23-15-3-5-16(6-4-15)28(25,26)24-17-20-9-2-10-21-17/h2-13H,1H3,(H,20,21,24)(H2,22,23,27)