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

Systemtic Name: 1-[1-(4-methylphenyl)ethyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-[1-(p-tolyl)ethyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-[1-(4-methylphenyl)ethyl]-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-[1-(4-methylphenyl)ethyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-[1-(p-tolyl)ethyl]-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C20H21N5O2S2 MolecularWeight: 427.54304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)C(C)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

InChI

InChI=1S/C20H21N5O2S2/c1-14-4-6-16(7-5-14)15(2)23-20(28)24-17-8-10-18(11-9-17)29(26,27)25-19-21-12-3-13-22-19/h3-13,15H,1-2H3,(H,21,22,25)(H2,23,24,28)