1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C19H23N7O2S2 MolecularWeight: 445.56162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C

InChI

InChI=1S/C19H23N7O2S2/c1-14-13-15(2)26(24-14)12-4-11-22-19(29)23-16-5-7-17(8-6-16)30(27,28)25-18-20-9-3-10-21-18/h3,5-10,13H,4,11-12H2,1-2H3,(H,20,21,25)(H2,22,23,29)