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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

InChI

InChI=1S/C21H23N5O2S2/c1-2-3-5-16-6-8-17(9-7-16)24-21(29)25-18-10-12-19(13-11-18)30(27,28)26-20-22-14-4-15-23-20/h4,6-15H,2-3,5H2,1H3,(H,22,23,26)(H2,24,25,29)