1-tert-butyl-3-[[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]thiourea

Systemtic Name: 1-tert-butyl-3-[[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]thiourea Openeye Name: 1-tert-butyl-3-[[3-(3,4-dimethylphenyl)-1-phenyl-pyrazole-4-carbonyl]amino]thiourea CAS Name: 1-tert-butyl-3-[[[3-(3,4-dimethylphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]thiourea IUPAC Name: 1-tert-butyl-3-[[3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carbonyl]amino]thiourea Traditional Name: 1-tert-butyl-3-[[3-(3,4-dimethylphenyl)-1-phenyl-pyrazole-4-carbonyl]amino]thiourea Formula: C23H27N5OS MolecularWeight: 421.55838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NNC(=S)NC(C)(C)C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NNC(=S)NC(C)(C)C)C3=CC=CC=C3)C

InChI

InChI=1S/C23H27N5OS/c1-15-11-12-17(13-16(15)2)20-19(14-28(27-20)18-9-7-6-8-10-18)21(29)25-26-22(30)24-23(3,4)5/h6-14H,1-5H3,(H,25,29)(H2,24,26,30)