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

Systemtic Name: 1-[1-(4-butan-2-ylphenyl)ethyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-[1-(4-sec-butylphenyl)ethyl]thiourea CAS Name: 1-[1-(4-butan-2-ylphenyl)ethyl]-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-[1-(4-butan-2-ylphenyl)ethyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-[4-(2-pyrimidylsulfamoyl)phenyl]-3-[1-(4-sec-butylphenyl)ethyl]thiourea Formula: C23H27N5O2S2 MolecularWeight: 469.62278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O2S2/c1-4-16(2)18-6-8-19(9-7-18)17(3)26-23(31)27-20-10-12-21(13-11-20)32(29,30)28-22-24-14-5-15-25-22/h5-17H,4H2,1-3H3,(H,24,25,28)(H2,26,27,31)