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

Systemtic Name: 1-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)propyl]-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C19H22BrN7O2S2 MolecularWeight: 524.45768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrN7O2S2/c1-13-17(20)14(2)27(25-13)12-4-11-23-19(30)24-15-5-7-16(8-6-15)31(28,29)26-18-21-9-3-10-22-18/h3,5-10H,4,11-12H2,1-2H3,(H,21,22,26)(H2,23,24,30)