1-(2,6-diethylphenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-(2,6-diethylphenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(2,6-diethylphenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-(2,6-diethylphenyl)-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(2,6-diethylphenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-(2,6-diethylphenyl)-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C21H23N5O2S2 MolecularWeight: 441.56962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O2S2/c1-3-15-7-5-8-16(4-2)19(15)25-21(29)24-17-9-11-18(12-10-17)30(27,28)26-20-22-13-6-14-23-20/h5-14H,3-4H2,1-2H3,(H,22,23,26)(H2,24,25,29)