1-[1-(phenylmethyl)pyrazol-3-yl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-[1-(phenylmethyl)pyrazol-3-yl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(1-benzylpyrazol-3-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-[1-(phenylmethyl)-3-pyrazolyl]-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(1-benzylpyrazol-3-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-(1-benzylpyrazol-3-yl)-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C21H19N7O2S2 MolecularWeight: 465.55126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=CC(=N2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=CC(=N2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

InChI

InChI=1S/C21H19N7O2S2/c29-32(30,27-20-22-12-4-13-23-20)18-9-7-17(8-10-18)24-21(31)25-19-11-14-28(26-19)15-16-5-2-1-3-6-16/h1-14H,15H2,(H,22,23,27)(H2,24,25,26,31)