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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O2S2/c26-29(27,25-19-21-14-5-15-22-19)18-11-9-17(10-12-18)24-20(28)23-13-4-8-16-6-2-1-3-7-16/h1-3,5-7,9-12,14-15H,4,8,13H2,(H,21,22,25)(H2,23,24,28)