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

Systemtic Name: 1-tert-butyl-3-[[3-(3-methylphenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]thiourea Openeye Name: 1-tert-butyl-3-[[3-(m-tolyl)-1-phenyl-pyrazole-4-carbonyl]amino]thiourea CAS Name: 1-tert-butyl-3-[[[3-(3-methylphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]thiourea IUPAC Name: 1-tert-butyl-3-[[3-(3-methylphenyl)-1-phenylpyrazole-4-carbonyl]amino]thiourea Traditional Name: 1-tert-butyl-3-[[3-(m-tolyl)-1-phenyl-pyrazole-4-carbonyl]amino]thiourea Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5OS/c1-15-9-8-10-16(13-15)19-18(14-27(26-19)17-11-6-5-7-12-17)20(28)24-25-21(29)23-22(2,3)4/h5-14H,1-4H3,(H,24,28)(H2,23,25,29)