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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

Isomeric SMILES

CCCCC1=CC=CC=C1NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

InChI

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