1-tert-butyl-3-[[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]carbonylamino]thiourea

Systemtic Name: 1-tert-butyl-3-[[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]carbonylamino]thiourea Openeye Name: 1-tert-butyl-3-[[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoyl]amino]thiourea CAS Name: 1-tert-butyl-3-[[[4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]phenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-tert-butyl-3-[[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoyl]amino]thiourea Traditional Name: 1-tert-butyl-3-[[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoyl]amino]thiourea Formula: C18H24N6O3S MolecularWeight: 404.48656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NNC(=S)NC(C)(C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NNC(=S)NC(C)(C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H24N6O3S/c1-11-15(24(26)27)12(2)23(22-11)10-13-6-8-14(9-7-13)16(25)20-21-17(28)19-18(3,4)5/h6-9H,10H2,1-5H3,(H,20,25)(H2,19,21,28)