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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C=C2C(=O)NNC(=S)NC(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C=C2C(=O)NNC(=S)NC(C)(C)C)C3=CC=CC=C3

InChI

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