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

Systemtic Name: 1-tert-butyl-3-[[1-(phenylmethyl)pyrazol-4-yl]carbonylamino]thiourea Openeye Name: 1-[(1-benzylpyrazole-4-carbonyl)amino]-3-tert-butyl-thiourea CAS Name: 1-tert-butyl-3-[[oxo-[1-(phenylmethyl)-4-pyrazolyl]methyl]amino]thiourea IUPAC Name: 1-[(1-benzylpyrazole-4-carbonyl)amino]-3-tert-butylthiourea Traditional Name: 1-[(1-benzylpyrazole-4-carbonyl)amino]-3-tert-butyl-thiourea Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NNC(=O)C1=CN(N=C1)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)NC(=S)NNC(=O)C1=CN(N=C1)CC2=CC=CC=C2

InChI

InChI=1S/C16H21N5OS/c1-16(2,3)18-15(23)20-19-14(22)13-9-17-21(11-13)10-12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3,(H,19,22)(H2,18,20,23)