1-tert-butyl-3-[[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]thiourea

Systemtic Name: 1-tert-butyl-3-[[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]thiourea Openeye Name: 1-tert-butyl-3-[[3-(2-methoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]amino]thiourea CAS Name: 1-tert-butyl-3-[[[3-(2-methoxyphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]thiourea IUPAC Name: 1-tert-butyl-3-[[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]thiourea Traditional Name: 1-tert-butyl-3-[[3-(2-methoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]amino]thiourea Formula: C22H25N5O2S MolecularWeight: 423.5312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NNC(=O)C1=CN(N=C1C2=CC=CC=C2OC)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=S)NNC(=O)C1=CN(N=C1C2=CC=CC=C2OC)C3=CC=CC=C3

InChI

InChI=1S/C22H25N5O2S/c1-22(2,3)23-21(30)25-24-20(28)17-14-27(15-10-6-5-7-11-15)26-19(17)16-12-8-9-13-18(16)29-4/h5-14H,1-4H3,(H,24,28)(H2,23,25,30)