1-(4-bromanyl-2-ethyl-phenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-(4-bromanyl-2-ethyl-phenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(4-bromo-2-ethyl-phenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-(4-bromo-2-ethylphenyl)-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(4-bromo-2-ethylphenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-(4-bromo-2-ethyl-phenyl)-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C19H18BrN5O2S2 MolecularWeight: 492.41252

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

InChI

InChI=1S/C19H18BrN5O2S2/c1-2-13-12-14(20)4-9-17(13)24-19(28)23-15-5-7-16(8-6-15)29(26,27)25-18-21-10-3-11-22-18/h3-12H,2H2,1H3,(H,21,22,25)(H2,23,24,28)