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

Systemtic Name: 1-tert-butyl-3-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]carbonylamino]thiourea Openeye Name: 1-[(1-benzyl-3-phenyl-pyrazole-4-carbonyl)amino]-3-tert-butyl-thiourea CAS Name: 1-tert-butyl-3-[[oxo-[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methyl]amino]thiourea IUPAC Name: 1-[(1-benzyl-3-phenylpyrazole-4-carbonyl)amino]-3-tert-butylthiourea Traditional Name: 1-[(1-benzyl-3-phenyl-pyrazole-4-carbonyl)amino]-3-tert-butyl-thiourea Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NNC(=O)C1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=S)NNC(=O)C1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H25N5OS/c1-22(2,3)23-21(29)25-24-20(28)18-15-27(14-16-10-6-4-7-11-16)26-19(18)17-12-8-5-9-13-17/h4-13,15H,14H2,1-3H3,(H,24,28)(H2,23,25,29)